N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]pyridine-3-carboxamide

C27H32N6O — CID 22498856

IUPACN-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]pyridine-3-carboxamide
SMILESCC1(C)CCNc2cc(NC(=O)c3cccnc3NCc3ccnc(N4CCCC4)c3)ccc21
InChIInChI=1S/C27H32N6O/c1-27(2)10-13-28-23-17-20(7-8-22(23)27)32-26(34)21-6-5-11-30-25(21)31-18-19-9-12-29-24(16-19)33-14-3-4-15-33/h5-9,11-12,16-17,28H,3-4,10,13-15,18H2,1-2H3,(H,30,31)(H,32,34)
InChIKeyVQYJFGURXRHSTA-UHFFFAOYSA-N
MW456.59 g/mol
LogP5.03
Rot. Bonds6

About N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]pyridine-3-carboxamide

N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]pyridine-3-carboxamide (PubChem CID 22498856) has the molecular formula C27H32N6O and a molecular weight of 456.59 g/mol. Its IUPAC name is N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]pyridine-3-carboxamide
PubChem CID22498856
Molecular FormulaC27H32N6O
Molecular Weight456.59 g/mol
Exact Mass456.26
IUPAC NameN-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]pyridine-3-carboxamide
SMILESCC1(C)CCNc2cc(NC(=O)c3cccnc3NCc3ccnc(N4CCCC4)c3)ccc21
InChIInChI=1S/C27H32N6O/c1-27(2)10-13-28-23-17-20(7-8-22(23)27)32-26(34)21-6-5-11-30-25(21)31-18-19-9-12-29-24(16-19)33-14-3-4-15-33/h5-9,11-12,16-17,28H,3-4,10,13-15,18H2,1-2H3,(H,30,31)(H,32,34)
InChIKeyVQYJFGURXRHSTA-UHFFFAOYSA-N
XLogP5.03
TPSA82.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-7-yl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]pyridine-3-carboxamide
CID 22498869
N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 58942005
N-(3,3-dimethyl-1,2-dihydroindol-6-yl)-2-[[2-(1-piperidin-4-ylethoxy)-4-pyridinyl]methylamino]pyridine-3-carboxamide
CID 22249397
N-[3,3-dimethyl-1-(pyrrolidin-1-ylmethyl)-2H-indol-6-yl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 10456774
N-(5,5-dimethyl-1,2,3,4-tetrahydro-1-benzazepin-8-yl)-2-fluoropyridine-3-carboxamide
CID 69263023
2-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-N-[3-(1-pyrrolidin-2-ylethoxy)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 22498960
N-[4-tert-butyl-3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]-2-[(2-methoxy-4-pyridinyl)methylamino]pyridine-3-carboxamide
CID 22498918
N-[1-[4-[hydroxy(dimethyl)silyl]butanoyl]-3,3-dimethyl-2H-indol-6-yl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 149238261
N-(1-acetyl-2,3-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249437
N-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 11349748
2-[1-(2-aminopyrimidin-4-yl)ethylamino]-N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)benzamide
CID 10364610
2-(methylamino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 84575067

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]pyridine-3-carboxamide (CID 22498856) is N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]pyridine-3-carboxamide is CC1(C)CCNc2cc(NC(=O)c3cccnc3NCc3ccnc(N4CCCC4)c3)ccc21.
What is the InChIKey of N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]pyridine-3-carboxamide?
The InChIKey is VQYJFGURXRHSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O/c1-27(2)10-13-28-23-17-20(7-8-22(23)27)32-26(34)21-6-5-11-30-25(21)31-18-19-9-12-29-24(16-19)33-14-3-4-15-33/h5-9,11-12,16-17,28H,3-4,10,13-15,18H2,1-2H3,(H,30,31)(H,32,34).
What are the key properties of N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]pyridine-3-carboxamide?
N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]pyridine-3-carboxamide has a molecular weight of 456.59 g/mol, XLogP of 5.03, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 22498856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).