N-(5-formamido-6-methyl-3-pyridinyl)-2-pyrrolidin-1-ylacetamide

C13H18N4O2 — CID 167139836

IUPACN-(5-formamido-6-methyl-3-pyridinyl)-2-pyrrolidin-1-ylacetamide
SMILESCc1ncc(NC(=O)CN2CCCC2)cc1NC=O
InChIInChI=1S/C13H18N4O2/c1-10-12(15-9-18)6-11(7-14-10)16-13(19)8-17-4-2-3-5-17/h6-7,9H,2-5,8H2,1H3,(H,15,18)(H,16,19)
InChIKeyKTNSOXKCIGXHIW-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.99
Rot. Bonds5

About N-(5-formamido-6-methyl-3-pyridinyl)-2-pyrrolidin-1-ylacetamide

N-(5-formamido-6-methyl-3-pyridinyl)-2-pyrrolidin-1-ylacetamide (PubChem CID 167139836) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(5-formamido-6-methyl-3-pyridinyl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(5-formamido-6-methyl-3-pyridinyl)-2-pyrrolidin-1-ylacetamide
PubChem CID167139836
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-(5-formamido-6-methyl-3-pyridinyl)-2-pyrrolidin-1-ylacetamide
SMILESCc1ncc(NC(=O)CN2CCCC2)cc1NC=O
InChIInChI=1S/C13H18N4O2/c1-10-12(15-9-18)6-11(7-14-10)16-13(19)8-17-4-2-3-5-17/h6-7,9H,2-5,8H2,1H3,(H,15,18)(H,16,19)
InChIKeyKTNSOXKCIGXHIW-UHFFFAOYSA-N
XLogP0.99
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(2,2-dimethylmorpholin-4-yl)-N-(5-formamido-6-methyl-3-pyridinyl)acetamide
CID 167139818
2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(5-formamido-6-methyl-3-pyridinyl)acetamide
CID 170635353
N-[2-methyl-5-[(2-piperidin-1-ylacetyl)amino]-3-pyridinyl]-2-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 170634573
ethane;N-(5-methyl-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide
CID 143962220
2-(3,3-dimethylazetidin-1-yl)-N-(5,6-dimethyl-3-pyridinyl)acetamide
CID 170635035
N-(3,5-dichloro-4-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 23555755
2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8895959
N-[6-(azepan-1-yl)-3-pyridinyl]-2-piperidin-1-ylacetamide
CID 155391895
(2E,4Z,6E,7Z)-2,8-diamino-7-ethanethioyl-3-ethyl-6-ethylidene-9-methoxy-N-[2-methyl-5-[(2-pyrrolidin-1-ylacetyl)amino]-3-pyridinyl]nona-2,4,7-trienamide;ethane
CID 170633612
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
N-(5-bromo-3-methyl-2-pyridinyl)-2-pyrrolidin-1-ylacetamide
CID 67362705
2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide
CID 119865183

Frequently Asked Questions

What is the IUPAC name of N-(5-formamido-6-methyl-3-pyridinyl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(5-formamido-6-methyl-3-pyridinyl)-2-pyrrolidin-1-ylacetamide (CID 167139836) is N-(5-formamido-6-methyl-3-pyridinyl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(5-formamido-6-methyl-3-pyridinyl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(5-formamido-6-methyl-3-pyridinyl)-2-pyrrolidin-1-ylacetamide is Cc1ncc(NC(=O)CN2CCCC2)cc1NC=O.
What is the InChIKey of N-(5-formamido-6-methyl-3-pyridinyl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is KTNSOXKCIGXHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-10-12(15-9-18)6-11(7-14-10)16-13(19)8-17-4-2-3-5-17/h6-7,9H,2-5,8H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N-(5-formamido-6-methyl-3-pyridinyl)-2-pyrrolidin-1-ylacetamide?
N-(5-formamido-6-methyl-3-pyridinyl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 262.31 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-formamido-6-methyl-3-pyridinyl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 167139836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).