3-amino-N-[3-chloro-4-(3-oxo-2-azaspiro[4.4]nonan-2-yl)phenyl]pyridine-2-carboxamide

C20H21ClN4O2 — CID 127047066

IUPAC3-amino-N-[3-chloro-4-(3-oxo-2-azaspiro[4.4]nonan-2-yl)phenyl]pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)Nc1ccc(N2CC3(CCCC3)CC2=O)c(Cl)c1
InChIInChI=1S/C20H21ClN4O2/c21-14-10-13(24-19(27)18-15(22)4-3-9-23-18)5-6-16(14)25-12-20(11-17(25)26)7-1-2-8-20/h3-6,9-10H,1-2,7-8,11-12,22H2,(H,24,27)
InChIKeyCRSGVGNUNMJTOK-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.87
Rot. Bonds3

About 3-amino-N-[3-chloro-4-(3-oxo-2-azaspiro[4.4]nonan-2-yl)phenyl]pyridine-2-carboxamide

3-amino-N-[3-chloro-4-(3-oxo-2-azaspiro[4.4]nonan-2-yl)phenyl]pyridine-2-carboxamide (PubChem CID 127047066) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 3-amino-N-[3-chloro-4-(3-oxo-2-azaspiro[4.4]nonan-2-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-chloro-4-(3-oxo-2-azaspiro[4.4]nonan-2-yl)phenyl]pyridine-2-carboxamide
PubChem CID127047066
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name3-amino-N-[3-chloro-4-(3-oxo-2-azaspiro[4.4]nonan-2-yl)phenyl]pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)Nc1ccc(N2CC3(CCCC3)CC2=O)c(Cl)c1
InChIInChI=1S/C20H21ClN4O2/c21-14-10-13(24-19(27)18-15(22)4-3-9-23-18)5-6-16(14)25-12-20(11-17(25)26)7-1-2-8-20/h3-6,9-10H,1-2,7-8,11-12,22H2,(H,24,27)
InChIKeyCRSGVGNUNMJTOK-UHFFFAOYSA-N
XLogP3.87
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[3-chloro-4-(3-oxo-2-azaspiro[4.4]nonan-2-yl)phenyl]pyridine-2-carboxamide with MolForge

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Related Compounds

3-amino-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 104741490
CID 154643103
CID 154643103
3-amino-N-(3-chloro-2-pyridinyl)pyridine-2-carboxamide
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3-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-2-carboxamide
CID 104740829
3-amino-N-[4-(carbamoylamino)phenyl]pyridine-2-carboxamide
CID 104741358
N-[3-chloro-4-(6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl)phenyl]pyridine-2-carboxamide;N-[3-chloro-4-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)phenyl]pyridine-2-carboxamide
CID 162247668
3-amino-N-(1,3-benzodioxol-5-yl)pyridine-2-carboxamide
CID 104740959
N-(3-acetamido-4-fluorophenyl)-3-aminopyridine-2-carboxamide
CID 104741465
3-amino-N-[4-chloro-3-[dideuterio(fluoro)methyl]sulfanylphenyl]pyridine-2-carboxamide
CID 164738387
5-[(3-aminopyridine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 104742707
4-[(3-aminopyridine-2-carbonyl)amino]-3,5-dichlorobenzoic acid
CID 104742777
3-[(3-aminopyridine-2-carbonyl)amino]benzoic acid
CID 104741844

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-chloro-4-(3-oxo-2-azaspiro[4.4]nonan-2-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-chloro-4-(3-oxo-2-azaspiro[4.4]nonan-2-yl)phenyl]pyridine-2-carboxamide (CID 127047066) is 3-amino-N-[3-chloro-4-(3-oxo-2-azaspiro[4.4]nonan-2-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-chloro-4-(3-oxo-2-azaspiro[4.4]nonan-2-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-chloro-4-(3-oxo-2-azaspiro[4.4]nonan-2-yl)phenyl]pyridine-2-carboxamide is Nc1cccnc1C(=O)Nc1ccc(N2CC3(CCCC3)CC2=O)c(Cl)c1.
What is the InChIKey of 3-amino-N-[3-chloro-4-(3-oxo-2-azaspiro[4.4]nonan-2-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is CRSGVGNUNMJTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c21-14-10-13(24-19(27)18-15(22)4-3-9-23-18)5-6-16(14)25-12-20(11-17(25)26)7-1-2-8-20/h3-6,9-10H,1-2,7-8,11-12,22H2,(H,24,27).
What are the key properties of 3-amino-N-[3-chloro-4-(3-oxo-2-azaspiro[4.4]nonan-2-yl)phenyl]pyridine-2-carboxamide?
3-amino-N-[3-chloro-4-(3-oxo-2-azaspiro[4.4]nonan-2-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 384.87 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-chloro-4-(3-oxo-2-azaspiro[4.4]nonan-2-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 127047066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).