(4R)-3-propan-2-yl-5-(pyridine-3-carbonyl)-N-(2-pyridin-2-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide

C23H26N6O2 — CID 97442794

IUPAC(4R)-3-propan-2-yl-5-(pyridine-3-carbonyl)-N-(2-pyridin-2-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESCC(C)n1cnc2c1[C@H](C(=O)NCCc1ccccn1)N(C(=O)c1cccnc1)CC2
InChIInChI=1S/C23H26N6O2/c1-16(2)29-15-27-19-9-13-28(23(31)17-6-5-10-24-14-17)21(20(19)29)22(30)26-12-8-18-7-3-4-11-25-18/h3-7,10-11,14-16,21H,8-9,12-13H2,1-2H3,(H,26,30)/t21-/m1/s1
InChIKeyYUWHORVXOFCFGL-OAQYLSRUSA-N
MW418.50 g/mol
LogP2.35
Rot. Bonds6

About (4R)-3-propan-2-yl-5-(pyridine-3-carbonyl)-N-(2-pyridin-2-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide

(4R)-3-propan-2-yl-5-(pyridine-3-carbonyl)-N-(2-pyridin-2-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide (PubChem CID 97442794) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is (4R)-3-propan-2-yl-5-(pyridine-3-carbonyl)-N-(2-pyridin-2-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-propan-2-yl-5-(pyridine-3-carbonyl)-N-(2-pyridin-2-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
PubChem CID97442794
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name(4R)-3-propan-2-yl-5-(pyridine-3-carbonyl)-N-(2-pyridin-2-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESCC(C)n1cnc2c1[C@H](C(=O)NCCc1ccccn1)N(C(=O)c1cccnc1)CC2
InChIInChI=1S/C23H26N6O2/c1-16(2)29-15-27-19-9-13-28(23(31)17-6-5-10-24-14-17)21(20(19)29)22(30)26-12-8-18-7-3-4-11-25-18/h3-7,10-11,14-16,21H,8-9,12-13H2,1-2H3,(H,26,30)/t21-/m1/s1
InChIKeyYUWHORVXOFCFGL-OAQYLSRUSA-N
XLogP2.35
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R)-3-propan-2-yl-5-(pyridine-3-carbonyl)-N-(2-pyridin-2-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide with MolForge

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Related Compounds

(4R)-5-benzoyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
CID 97442800
3-methyl-5-(pyridine-3-carbonyl)-N-(pyridin-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
CID 134075325
3-methyl-5-(pyridine-3-carbonyl)-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
CID 134078505
1-[3,5-di(propan-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl]-2-pyridin-2-ylethanone
CID 134690167
pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 704367
2-chloro-N-(2-pyridin-2-ylethyl)propanamide
CID 24692533
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
3-(2-methylpropanoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42744624
4-hydroxy-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 112530288
N-(2-pyridin-2-ylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 112530266
N-methyl-1-(pyridine-3-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide
CID 71998761
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250

Frequently Asked Questions

What is the IUPAC name of (4R)-3-propan-2-yl-5-(pyridine-3-carbonyl)-N-(2-pyridin-2-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide?
The IUPAC name of (4R)-3-propan-2-yl-5-(pyridine-3-carbonyl)-N-(2-pyridin-2-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide (CID 97442794) is (4R)-3-propan-2-yl-5-(pyridine-3-carbonyl)-N-(2-pyridin-2-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide.
What is the SMILES notation for (4R)-3-propan-2-yl-5-(pyridine-3-carbonyl)-N-(2-pyridin-2-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide?
The canonical SMILES for (4R)-3-propan-2-yl-5-(pyridine-3-carbonyl)-N-(2-pyridin-2-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide is CC(C)n1cnc2c1[C@H](C(=O)NCCc1ccccn1)N(C(=O)c1cccnc1)CC2.
What is the InChIKey of (4R)-3-propan-2-yl-5-(pyridine-3-carbonyl)-N-(2-pyridin-2-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide?
The InChIKey is YUWHORVXOFCFGL-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-16(2)29-15-27-19-9-13-28(23(31)17-6-5-10-24-14-17)21(20(19)29)22(30)26-12-8-18-7-3-4-11-25-18/h3-7,10-11,14-16,21H,8-9,12-13H2,1-2H3,(H,26,30)/t21-/m1/s1.
What are the key properties of (4R)-3-propan-2-yl-5-(pyridine-3-carbonyl)-N-(2-pyridin-2-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide?
(4R)-3-propan-2-yl-5-(pyridine-3-carbonyl)-N-(2-pyridin-2-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-propan-2-yl-5-(pyridine-3-carbonyl)-N-(2-pyridin-2-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide is sourced from PubChem (CID 97442794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).