5-amino-2-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-carboxamide

C11H13ClN4O2 — CID 114045997

IUPAC5-amino-2-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-carboxamide
SMILESNc1cnc(Cl)c(C(=O)NCC2CCC(=O)N2)c1
InChIInChI=1S/C11H13ClN4O2/c12-10-8(3-6(13)4-14-10)11(18)15-5-7-1-2-9(17)16-7/h3-4,7H,1-2,5,13H2,(H,15,18)(H,16,17)
InChIKeyOOHCQIMPHRPOJM-UHFFFAOYSA-N
MW268.70 g/mol
LogP0.33
Rot. Bonds3

About 5-amino-2-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-carboxamide

5-amino-2-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 114045997) has the molecular formula C11H13ClN4O2 and a molecular weight of 268.70 g/mol. Its IUPAC name is 5-amino-2-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-carboxamide
PubChem CID114045997
Molecular FormulaC11H13ClN4O2
Molecular Weight268.70 g/mol
Exact Mass268.07
IUPAC Name5-amino-2-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-carboxamide
SMILESNc1cnc(Cl)c(C(=O)NCC2CCC(=O)N2)c1
InChIInChI=1S/C11H13ClN4O2/c12-10-8(3-6(13)4-14-10)11(18)15-5-7-1-2-9(17)16-7/h3-4,7H,1-2,5,13H2,(H,15,18)(H,16,17)
InChIKeyOOHCQIMPHRPOJM-UHFFFAOYSA-N
XLogP0.33
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-chloro-N-(cyclopentylmethyl)pyridine-3-carboxamide
CID 114045919
2-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]-5-sulfanylbenzamide
CID 107030749
3-amino-2,5-difluoro-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 107121122
3-bromo-5-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 103827007
3,5-dibromo-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 103908657
2,4-dibromo-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 113345292
N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 110732294
methyl 3-[(5-amino-2-chloropyridine-3-carbonyl)amino]-2-hydroxypropanoate
CID 114046104
5-chloro-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2-propoxybenzamide
CID 97221382
6-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide
CID 81234441
2,3-dichloro-5-nitro-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 107188968
3-fluoro-2-hydrazinyl-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-4-carboxamide
CID 105388397

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-carboxamide (CID 114045997) is 5-amino-2-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-carboxamide is Nc1cnc(Cl)c(C(=O)NCC2CCC(=O)N2)c1.
What is the InChIKey of 5-amino-2-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is OOHCQIMPHRPOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2/c12-10-8(3-6(13)4-14-10)11(18)15-5-7-1-2-9(17)16-7/h3-4,7H,1-2,5,13H2,(H,15,18)(H,16,17).
What are the key properties of 5-amino-2-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-carboxamide?
5-amino-2-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 268.70 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 114045997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).