4-(dimethylamino)-N-[2-[(2R)-2-(isoquinolin-7-ylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide

C24H26N6O3 — CID 172890180

IUPAC4-(dimethylamino)-N-[2-[(2R)-2-(isoquinolin-7-ylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide
SMILESCN(C)c1ccncc1C(=O)NCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc2ccncc2c1
InChIInChI=1S/C24H26N6O3/c1-29(2)20-8-10-26-14-19(20)23(32)27-15-22(31)30-11-3-4-21(30)24(33)28-18-6-5-16-7-9-25-13-17(16)12-18/h5-10,12-14,21H,3-4,11,15H2,1-2H3,(H,27,32)(H,28,33)/t21-/m1/s1
InChIKeyUQMZADMDIHHZLS-OAQYLSRUSA-N
MW446.51 g/mol
LogP2.06
Rot. Bonds6

About 4-(dimethylamino)-N-[2-[(2R)-2-(isoquinolin-7-ylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide

4-(dimethylamino)-N-[2-[(2R)-2-(isoquinolin-7-ylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide (PubChem CID 172890180) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[2-[(2R)-2-(isoquinolin-7-ylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[2-[(2R)-2-(isoquinolin-7-ylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide
PubChem CID172890180
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC Name4-(dimethylamino)-N-[2-[(2R)-2-(isoquinolin-7-ylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide
SMILESCN(C)c1ccncc1C(=O)NCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc2ccncc2c1
InChIInChI=1S/C24H26N6O3/c1-29(2)20-8-10-26-14-19(20)23(32)27-15-22(31)30-11-3-4-21(30)24(33)28-18-6-5-16-7-9-25-13-17(16)12-18/h5-10,12-14,21H,3-4,11,15H2,1-2H3,(H,27,32)(H,28,33)/t21-/m1/s1
InChIKeyUQMZADMDIHHZLS-OAQYLSRUSA-N
XLogP2.06
TPSA107.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(dimethylamino)-N-[2-[(2R)-2-(isoquinolin-7-ylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide with MolForge

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Related Compounds

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(2S)-N-(4-methoxyphenyl)-1-[2-[methyl(pyrazin-2-yl)amino]acetyl]pyrrolidine-2-carboxamide
CID 95151458
N-[6-[(2S)-2-(2-oxopropylcarbamoyl)pyrrolidine-1-carbonyl]naphthalen-2-yl]pyridine-3-carboxamide
CID 59684199
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CID 56547066
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CID 119032269
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CID 131920868
(2S)-N-(2-chloroquinolin-6-yl)-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 123233355
1-(4-fluorophenyl)-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-5-propan-2-ylpyrazole-4-carboxamide
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5-[(1-butanoylpyrrolidine-2-carbonyl)amino]-2-methylbenzoic acid
CID 119255170
(2R)-1-N-[3-(dimethylamino)-4-pyridinyl]-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
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(2S)-1-acetyl-N-pyridin-3-ylpyrrolidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[2-[(2R)-2-(isoquinolin-7-ylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide?
The IUPAC name of 4-(dimethylamino)-N-[2-[(2R)-2-(isoquinolin-7-ylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide (CID 172890180) is 4-(dimethylamino)-N-[2-[(2R)-2-(isoquinolin-7-ylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-(dimethylamino)-N-[2-[(2R)-2-(isoquinolin-7-ylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide?
The canonical SMILES for 4-(dimethylamino)-N-[2-[(2R)-2-(isoquinolin-7-ylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide is CN(C)c1ccncc1C(=O)NCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc2ccncc2c1.
What is the InChIKey of 4-(dimethylamino)-N-[2-[(2R)-2-(isoquinolin-7-ylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide?
The InChIKey is UQMZADMDIHHZLS-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-29(2)20-8-10-26-14-19(20)23(32)27-15-22(31)30-11-3-4-21(30)24(33)28-18-6-5-16-7-9-25-13-17(16)12-18/h5-10,12-14,21H,3-4,11,15H2,1-2H3,(H,27,32)(H,28,33)/t21-/m1/s1.
What are the key properties of 4-(dimethylamino)-N-[2-[(2R)-2-(isoquinolin-7-ylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide?
4-(dimethylamino)-N-[2-[(2R)-2-(isoquinolin-7-ylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[2-[(2R)-2-(isoquinolin-7-ylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide is sourced from PubChem (CID 172890180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).