N,N-dimethylbenzamide;ethane;6-[2-methyl-3-[(E)-2-methyl-3-(2-methylpiperidin-1-yl)prop-1-enyl]-4-pyridinyl]pyridin-3-amine

C32H45N5O — CID 177354630

IUPACN,N-dimethylbenzamide;ethane;6-[2-methyl-3-[(E)-2-methyl-3-(2-methylpiperidin-1-yl)prop-1-enyl]-4-pyridinyl]pyridin-3-amine
SMILESC/C(=C\c1c(-c2ccc(N)cn2)ccnc1C)CN1CCCCC1C.CC.CN(C)C(=O)c1ccccc1
InChIInChI=1S/C21H28N4.C9H11NO.C2H6/c1-15(14-25-11-5-4-6-16(25)2)12-20-17(3)23-10-9-19(20)21-8-7-18(22)13-24-21;1-10(2)9(11)8-6-4-3-5-7-8;1-2/h7-10,12-13,16H,4-6,11,14,22H2,1-3H3;3-7H,1-2H3;1-2H3/b15-12+;;
InChIKeyWSLPLIBBDDDYNA-BXHFOUFMSA-N
MW515.75 g/mol
LogP6.73
Rot. Bonds5

About N,N-dimethylbenzamide;ethane;6-[2-methyl-3-[(E)-2-methyl-3-(2-methylpiperidin-1-yl)prop-1-enyl]-4-pyridinyl]pyridin-3-amine

N,N-dimethylbenzamide;ethane;6-[2-methyl-3-[(E)-2-methyl-3-(2-methylpiperidin-1-yl)prop-1-enyl]-4-pyridinyl]pyridin-3-amine (PubChem CID 177354630) has the molecular formula C32H45N5O and a molecular weight of 515.75 g/mol. Its IUPAC name is N,N-dimethylbenzamide;ethane;6-[2-methyl-3-[(E)-2-methyl-3-(2-methylpiperidin-1-yl)prop-1-enyl]-4-pyridinyl]pyridin-3-amine.

Molecular Properties

Compound NameN,N-dimethylbenzamide;ethane;6-[2-methyl-3-[(E)-2-methyl-3-(2-methylpiperidin-1-yl)prop-1-enyl]-4-pyridinyl]pyridin-3-amine
PubChem CID177354630
Molecular FormulaC32H45N5O
Molecular Weight515.75 g/mol
Exact Mass515.36
IUPAC NameN,N-dimethylbenzamide;ethane;6-[2-methyl-3-[(E)-2-methyl-3-(2-methylpiperidin-1-yl)prop-1-enyl]-4-pyridinyl]pyridin-3-amine
SMILESC/C(=C\c1c(-c2ccc(N)cn2)ccnc1C)CN1CCCCC1C.CC.CN(C)C(=O)c1ccccc1
InChIInChI=1S/C21H28N4.C9H11NO.C2H6/c1-15(14-25-11-5-4-6-16(25)2)12-20-17(3)23-10-9-19(20)21-8-7-18(22)13-24-21;1-10(2)9(11)8-6-4-3-5-7-8;1-2/h7-10,12-13,16H,4-6,11,14,22H2,1-3H3;3-7H,1-2H3;1-2H3/b15-12+;;
InChIKeyWSLPLIBBDDDYNA-BXHFOUFMSA-N
XLogP6.73
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.75
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-4-[2-methyl-1-[(E)-2-methyl-3-[2-methyl-4-[5-(methylamino)-2-pyridinyl]-3-pyridinyl]prop-2-enyl]piperidin-4-yl]benzamide;ethane
CID 177354664
4-[1-[(E)-3-[4-(5-amino-6-fluoro-2-pyridinyl)-2-methyl-3-pyridinyl]-2-methylprop-2-enyl]piperidin-4-yl]-N,N-dimethylbenzamide
CID 177355066
4-[1-[(E)-3-[4-(2-aminopyrimidin-5-yl)-2-methyl-3-pyridinyl]-2-methylprop-2-enyl]piperidin-4-yl]-N,N-dimethylbenzamide
CID 177354588
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
4-[1-[(E)-3-[4-(6-amino-3-pyridinyl)-2-methyl-3-pyridinyl]-2-methylprop-2-enyl]piperidin-4-yl]-N,N-dimethylbenzamide;2,2-difluorobutane
CID 177353603
4-[1-[(E)-3-[4-[2-(hydroxymethylamino)-1-methyl-2H-pyridin-5-yl]-2-methyl-3-pyridinyl]-2-methylprop-2-enyl]piperidin-4-yl]-N,N-dimethylbenzamide
CID 177354722
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
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
1-(2-methylpiperidin-1-yl)-3-phenylpropan-2-one
CID 43794410
2-[(3-ethenyl-2-pyridinyl)-[2-[(2S)-2-methylpiperidin-1-yl]acetyl]amino]benzoic acid
CID 167002262
1-(3-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43794417
(2S)-2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-2-phenylacetamide
CID 104897103

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylbenzamide;ethane;6-[2-methyl-3-[(E)-2-methyl-3-(2-methylpiperidin-1-yl)prop-1-enyl]-4-pyridinyl]pyridin-3-amine?
The IUPAC name of 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) is N,N-dimethylbenzamide;ethane;6-[2-methyl-3-[(E)-2-methyl-3-(2-methylpiperidin-1-yl)prop-1-enyl]-4-pyridinyl]pyridin-3-amine.
What is the SMILES notation for N,N-dimethylbenzamide;ethane;6-[2-methyl-3-[(E)-2-methyl-3-(2-methylpiperidin-1-yl)prop-1-enyl]-4-pyridinyl]pyridin-3-amine?
The canonical SMILES for N,N-dimethylbenzamide;ethane;6-[2-methyl-3-[(E)-2-methyl-3-(2-methylpiperidin-1-yl)prop-1-enyl]-4-pyridinyl]pyridin-3-amine is C/C(=C\c1c(-c2ccc(N)cn2)ccnc1C)CN1CCCCC1C.CC.CN(C)C(=O)c1ccccc1.
What is the InChIKey of N,N-dimethylbenzamide;ethane;6-[2-methyl-3-[(E)-2-methyl-3-(2-methylpiperidin-1-yl)prop-1-enyl]-4-pyridinyl]pyridin-3-amine?
The InChIKey is WSLPLIBBDDDYNA-BXHFOUFMSA-N. The full InChI is InChI=1S/C21H28N4.C9H11NO.C2H6/c1-15(14-25-11-5-4-6-16(25)2)12-20-17(3)23-10-9-19(20)21-8-7-18(22)13-24-21;1-10(2)9(11)8-6-4-3-5-7-8;1-2/h7-10,12-13,16H,4-6,11,14,22H2,1-3H3;3-7H,1-2H3;1-2H3/b15-12+;;.
What are the key properties of N,N-dimethylbenzamide;ethane;6-[2-methyl-3-[(E)-2-methyl-3-(2-methylpiperidin-1-yl)prop-1-enyl]-4-pyridinyl]pyridin-3-amine?
N,N-dimethylbenzamide;ethane;6-[2-methyl-3-[(E)-2-methyl-3-(2-methylpiperidin-1-yl)prop-1-enyl]-4-pyridinyl]pyridin-3-amine has a molecular weight of 515.75 g/mol, XLogP of 6.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylbenzamide;ethane;6-[2-methyl-3-[(E)-2-methyl-3-(2-methylpiperidin-1-yl)prop-1-enyl]-4-pyridinyl]pyridin-3-amine is sourced from PubChem (CID 177354630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).