N-[(6-amino-2-pyridinyl)sulfonyl]-6-[1-(3-chlorobenzoyl)-3,6-dihydro-2H-pyridin-5-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

C30H33ClN6O4S — CID 130203263

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-6-[1-(3-chlorobenzoyl)-3,6-dihydro-2H-pyridin-5-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2nc(C3=CCCN(C(=O)c4cccc(Cl)c4)C3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1
InChIInChI=1S/C30H33ClN6O4S/c1-19-16-30(2,3)37(17-19)27-23(28(38)35-42(40,41)26-11-5-10-25(32)34-26)12-13-24(33-27)21-8-6-14-36(18-21)29(39)20-7-4-9-22(31)15-20/h4-5,7-13,15,19H,6,14,16-18H2,1-3H3,(H2,32,34)(H,35,38)/t19-/m0/s1
InChIKeyOPECWMGVZGYEAM-IBGZPJMESA-N
MW609.15 g/mol
LogP4.39
Rot. Bonds6

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-[1-(3-chlorobenzoyl)-3,6-dihydro-2H-pyridin-5-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[1-(3-chlorobenzoyl)-3,6-dihydro-2H-pyridin-5-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 130203263) has the molecular formula C30H33ClN6O4S and a molecular weight of 609.15 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[1-(3-chlorobenzoyl)-3,6-dihydro-2H-pyridin-5-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-[1-(3-chlorobenzoyl)-3,6-dihydro-2H-pyridin-5-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID130203263
Molecular FormulaC30H33ClN6O4S
Molecular Weight609.15 g/mol
Exact Mass608.20
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-[1-(3-chlorobenzoyl)-3,6-dihydro-2H-pyridin-5-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2nc(C3=CCCN(C(=O)c4cccc(Cl)c4)C3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1
InChIInChI=1S/C30H33ClN6O4S/c1-19-16-30(2,3)37(17-19)27-23(28(38)35-42(40,41)26-11-5-10-25(32)34-26)12-13-24(33-27)21-8-6-14-36(18-21)29(39)20-7-4-9-22(31)15-20/h4-5,7-13,15,19H,6,14,16-18H2,1-3H3,(H2,32,34)(H,35,38)/t19-/m0/s1
InChIKeyOPECWMGVZGYEAM-IBGZPJMESA-N
XLogP4.39
TPSA138.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500609.15
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(6-amino-2-pyridinyl)sulfonyl]-6-[1-(3-chlorobenzoyl)-3,6-dihydro-2H-pyridin-5-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[1-(3-chlorobenzoyl)-3,6-dihydro-2H-pyridin-5-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[1-(3-chlorobenzoyl)-3,6-dihydro-2H-pyridin-5-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 130203263) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[1-(3-chlorobenzoyl)-3,6-dihydro-2H-pyridin-5-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[1-(3-chlorobenzoyl)-3,6-dihydro-2H-pyridin-5-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[1-(3-chlorobenzoyl)-3,6-dihydro-2H-pyridin-5-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is C[C@@H]1CN(c2nc(C3=CCCN(C(=O)c4cccc(Cl)c4)C3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[1-(3-chlorobenzoyl)-3,6-dihydro-2H-pyridin-5-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is OPECWMGVZGYEAM-IBGZPJMESA-N. The full InChI is InChI=1S/C30H33ClN6O4S/c1-19-16-30(2,3)37(17-19)27-23(28(38)35-42(40,41)26-11-5-10-25(32)34-26)12-13-24(33-27)21-8-6-14-36(18-21)29(39)20-7-4-9-22(31)15-20/h4-5,7-13,15,19H,6,14,16-18H2,1-3H3,(H2,32,34)(H,35,38)/t19-/m0/s1.
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[1-(3-chlorobenzoyl)-3,6-dihydro-2H-pyridin-5-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[1-(3-chlorobenzoyl)-3,6-dihydro-2H-pyridin-5-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 609.15 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[1-(3-chlorobenzoyl)-3,6-dihydro-2H-pyridin-5-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 130203263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).