2-amino-N-[[5-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide

C28H28N6O2 — CID 156830428

IUPAC2-amino-N-[[5-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide
SMILESCc1cc2cc(C(=O)N(Cc3ccc(C4=CCOCC4)cn3)[C@H](C)c3ncccn3)ccc2nc1N
InChIInChI=1S/C28H28N6O2/c1-18-14-23-15-21(5-7-25(23)33-26(18)29)28(35)34(19(2)27-30-10-3-11-31-27)17-24-6-4-22(16-32-24)20-8-12-36-13-9-20/h3-8,10-11,14-16,19H,9,12-13,17H2,1-2H3,(H2,29,33)/t19-/m1/s1
InChIKeyPBKWTBXSJFAYBW-LJQANCHMSA-N
MW480.57 g/mol
LogP4.52
Rot. Bonds6

About 2-amino-N-[[5-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide

2-amino-N-[[5-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide (PubChem CID 156830428) has the molecular formula C28H28N6O2 and a molecular weight of 480.57 g/mol. Its IUPAC name is 2-amino-N-[[5-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-[[5-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide
PubChem CID156830428
Molecular FormulaC28H28N6O2
Molecular Weight480.57 g/mol
Exact Mass480.23
IUPAC Name2-amino-N-[[5-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide
SMILESCc1cc2cc(C(=O)N(Cc3ccc(C4=CCOCC4)cn3)[C@H](C)c3ncccn3)ccc2nc1N
InChIInChI=1S/C28H28N6O2/c1-18-14-23-15-21(5-7-25(23)33-26(18)29)28(35)34(19(2)27-30-10-3-11-31-27)17-24-6-4-22(16-32-24)20-8-12-36-13-9-20/h3-8,10-11,14-16,19H,9,12-13,17H2,1-2H3,(H2,29,33)/t19-/m1/s1
InChIKeyPBKWTBXSJFAYBW-LJQANCHMSA-N
XLogP4.52
TPSA107.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-amino-N-[[5-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-amino-N-[(5-bromo-2-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide
CID 156830214
2-amino-3-methyl-N-[[5-(oxan-4-yl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide
CID 156830132
2-amino-3-methyl-N-[(5-morpholin-4-yl-2-pyridinyl)methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide
CID 156830676
2-amino-N-[(4-chloro-5-cyano-2-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide
CID 156830834
2-amino-N-[(4-cyano-2-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide
CID 156830648
2-amino-3-methyl-N-(1-pyrimidin-2-ylethyl)-N-(quinolin-3-ylmethyl)quinoline-6-carboxamide
CID 166709907
2-amino-N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide
CID 156830805
2-amino-N-[(4-cyanophenyl)methyl]-3-methyl-N-(1-pyrimidin-2-ylethyl)quinoline-6-carboxamide
CID 166709785
2-amino-3-chloro-N-[[5-(difluoromethyl)-2-pyridinyl]methyl]-N-(1-pyrimidin-2-ylethyl)quinoline-6-carboxamide
CID 166710038
2-amino-N-[[5-(dimethylcarbamoyl)-2-pyridinyl]methyl]-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-3-methylquinoline-6-carboxamide
CID 156830049
2-amino-N-[(5-bromo-2-pyridinyl)methyl]-N-[1-(3-chloro-2-pyridinyl)ethyl]-3-methylquinoline-6-carboxamide
CID 166709771
methyl 6-[[(2-amino-3-methylquinoline-6-carbonyl)-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]amino]methyl]pyridine-3-carboxylate
CID 156830044

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[5-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide?
The IUPAC name of 2-amino-N-[[5-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide (CID 156830428) is 2-amino-N-[[5-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide.
What is the SMILES notation for 2-amino-N-[[5-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide?
The canonical SMILES for 2-amino-N-[[5-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide is Cc1cc2cc(C(=O)N(Cc3ccc(C4=CCOCC4)cn3)[C@H](C)c3ncccn3)ccc2nc1N.
What is the InChIKey of 2-amino-N-[[5-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide?
The InChIKey is PBKWTBXSJFAYBW-LJQANCHMSA-N. The full InChI is InChI=1S/C28H28N6O2/c1-18-14-23-15-21(5-7-25(23)33-26(18)29)28(35)34(19(2)27-30-10-3-11-31-27)17-24-6-4-22(16-32-24)20-8-12-36-13-9-20/h3-8,10-11,14-16,19H,9,12-13,17H2,1-2H3,(H2,29,33)/t19-/m1/s1.
What are the key properties of 2-amino-N-[[5-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide?
2-amino-N-[[5-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide has a molecular weight of 480.57 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[5-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide is sourced from PubChem (CID 156830428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).