4-[1-[(E)-4-[4-(5-amino-2-pyridinyl)-2-methyl-3-pyridinyl]-3-methylbut-3-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N,N,3-trimethylbenzamide

C31H37N5O — CID 177355093

IUPAC4-[1-[(E)-4-[4-(5-amino-2-pyridinyl)-2-methyl-3-pyridinyl]-3-methylbut-3-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N,N,3-trimethylbenzamide
SMILESC/C(=C\c1c(-c2ccc(N)cn2)ccnc1C)C(C)N1CC=C(c2ccc(C(=O)N(C)C)cc2C)CC1
InChIInChI=1S/C31H37N5O/c1-20(18-29-22(3)33-14-11-28(29)30-10-8-26(32)19-34-30)23(4)36-15-12-24(13-16-36)27-9-7-25(17-21(27)2)31(37)35(5)6/h7-12,14,17-19,23H,13,15-16,32H2,1-6H3/b20-18+
InChIKeyGJPJBAIYBZWHKD-CZIZESTLSA-N
MW495.67 g/mol
LogP5.63
Rot. Bonds6

About 4-[1-[(E)-4-[4-(5-amino-2-pyridinyl)-2-methyl-3-pyridinyl]-3-methylbut-3-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N,N,3-trimethylbenzamide

4-[1-[(E)-4-[4-(5-amino-2-pyridinyl)-2-methyl-3-pyridinyl]-3-methylbut-3-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N,N,3-trimethylbenzamide (PubChem CID 177355093) has the molecular formula C31H37N5O and a molecular weight of 495.67 g/mol. Its IUPAC name is 4-[1-[(E)-4-[4-(5-amino-2-pyridinyl)-2-methyl-3-pyridinyl]-3-methylbut-3-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N,N,3-trimethylbenzamide.

Molecular Properties

Compound Name4-[1-[(E)-4-[4-(5-amino-2-pyridinyl)-2-methyl-3-pyridinyl]-3-methylbut-3-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N,N,3-trimethylbenzamide
PubChem CID177355093
Molecular FormulaC31H37N5O
Molecular Weight495.67 g/mol
Exact Mass495.30
IUPAC Name4-[1-[(E)-4-[4-(5-amino-2-pyridinyl)-2-methyl-3-pyridinyl]-3-methylbut-3-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N,N,3-trimethylbenzamide
SMILESC/C(=C\c1c(-c2ccc(N)cn2)ccnc1C)C(C)N1CC=C(c2ccc(C(=O)N(C)C)cc2C)CC1
InChIInChI=1S/C31H37N5O/c1-20(18-29-22(3)33-14-11-28(29)30-10-8-26(32)19-34-30)23(4)36-15-12-24(13-16-36)27-9-7-25(17-21(27)2)31(37)35(5)6/h7-12,14,17-19,23H,13,15-16,32H2,1-6H3/b20-18+
InChIKeyGJPJBAIYBZWHKD-CZIZESTLSA-N
XLogP5.63
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.67
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[1-[(E)-4-[4-(5-amino-2-pyridinyl)-2-methyl-3-pyridinyl]-3-methylbut-3-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N,N,3-trimethylbenzamide with MolForge

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Launch Full Analysis

Related Compounds

3-amino-4-[1-[(E)-4-[4-[[(E)-3-aminobut-2-enoyl]-fluoroamino]-2-methyl-3-pyridinyl]-3-methylbut-3-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N,N,5-trimethylbenzamide
CID 177353406
4-[1-[(1R)-1-[4-(5-amino-2-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluoro-N,N,5-trimethylbenzamide
CID 177353906
4-[1-[(3E,5Z,7Z)-6-(5-amino-2-pyridinyl)-8-(dimethylamino)-3,5-dimethylocta-3,5,7-trien-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluoro-N,N,5-trimethylbenzamide
CID 177353968
N,N,3-trimethyl-4-[1-[[1-methyl-4-[5-(methylamino)-2-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide
CID 177353877
N,N-dimethylbenzamide;ethane;6-[2-methyl-3-[(E)-2-methyl-3-(2-methylpiperidin-1-yl)prop-1-enyl]-4-pyridinyl]pyridin-3-amine
CID 177354630
N,N-dimethyl-4-[1-[(E)-2-methyl-3-[2-methyl-4-[6-(methylamino)pyridazin-3-yl]-3-pyridinyl]prop-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]-3-(trifluoromethyl)benzamide
CID 177354078
[2-[1-[4-[4-[bis(trideuteriomethyl)carbamoyl]-2-methylphenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-1-methylpyrrolo[2,3-b]pyridin-4-yl]boronic acid
CID 177301462
4-[1-[(E)-4-(4-bromo-2-methyl-3-pyridinyl)-3-methylbut-3-en-2-yl]-3,3-difluoro-2,6-dihydropyridin-4-yl]-3-fluoro-N,N,5-trimethylbenzamide
CID 177353750
3-fluoro-N,N,5-trimethyl-4-[1-[(1S)-1-[1-methyl-4-[5-(methylamino)-2-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide
CID 177353897
4-[1-[(1S)-1-[4-(5-amino-3-methyl-2-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]-N,N-bis(trideuteriomethyl)benzamide
CID 177354313
4-[1-[(E)-3-(4-bromo-2-methyl-3-pyridinyl)-2-methylprop-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]-3-chloro-N,N-dimethylbenzamide;ethane;methane;propane
CID 177353752
4-[1-[(1R)-1-[4-(5-amino-2-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]ethyl]piperidin-4-yl]-N,N-dimethylbenzamide
CID 177353790

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(E)-4-[4-(5-amino-2-pyridinyl)-2-methyl-3-pyridinyl]-3-methylbut-3-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N,N,3-trimethylbenzamide?
The IUPAC name of 4-[1-[(E)-4-[4-(5-amino-2-pyridinyl)-2-methyl-3-pyridinyl]-3-methylbut-3-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N,N,3-trimethylbenzamide (CID 177355093) is 4-[1-[(E)-4-[4-(5-amino-2-pyridinyl)-2-methyl-3-pyridinyl]-3-methylbut-3-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N,N,3-trimethylbenzamide.
What is the SMILES notation for 4-[1-[(E)-4-[4-(5-amino-2-pyridinyl)-2-methyl-3-pyridinyl]-3-methylbut-3-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N,N,3-trimethylbenzamide?
The canonical SMILES for 4-[1-[(E)-4-[4-(5-amino-2-pyridinyl)-2-methyl-3-pyridinyl]-3-methylbut-3-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N,N,3-trimethylbenzamide is C/C(=C\c1c(-c2ccc(N)cn2)ccnc1C)C(C)N1CC=C(c2ccc(C(=O)N(C)C)cc2C)CC1.
What is the InChIKey of 4-[1-[(E)-4-[4-(5-amino-2-pyridinyl)-2-methyl-3-pyridinyl]-3-methylbut-3-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N,N,3-trimethylbenzamide?
The InChIKey is GJPJBAIYBZWHKD-CZIZESTLSA-N. The full InChI is InChI=1S/C31H37N5O/c1-20(18-29-22(3)33-14-11-28(29)30-10-8-26(32)19-34-30)23(4)36-15-12-24(13-16-36)27-9-7-25(17-21(27)2)31(37)35(5)6/h7-12,14,17-19,23H,13,15-16,32H2,1-6H3/b20-18+.
What are the key properties of 4-[1-[(E)-4-[4-(5-amino-2-pyridinyl)-2-methyl-3-pyridinyl]-3-methylbut-3-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N,N,3-trimethylbenzamide?
4-[1-[(E)-4-[4-(5-amino-2-pyridinyl)-2-methyl-3-pyridinyl]-3-methylbut-3-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N,N,3-trimethylbenzamide has a molecular weight of 495.67 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(E)-4-[4-(5-amino-2-pyridinyl)-2-methyl-3-pyridinyl]-3-methylbut-3-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N,N,3-trimethylbenzamide is sourced from PubChem (CID 177355093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).