N-[3-(pyridin-2-ylamino)propyl]pyrrolidine-3-carboxamide

C13H20N4O — CID 119854606

IUPACN-[3-(pyridin-2-ylamino)propyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCCNc1ccccn1)C1CCNC1
InChIInChI=1S/C13H20N4O/c18-13(11-5-9-14-10-11)17-8-3-7-16-12-4-1-2-6-15-12/h1-2,4,6,11,14H,3,5,7-10H2,(H,15,16)(H,17,18)
InChIKeyZBSQJXNTCONWNP-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.61
Rot. Bonds6

About N-[3-(pyridin-2-ylamino)propyl]pyrrolidine-3-carboxamide

N-[3-(pyridin-2-ylamino)propyl]pyrrolidine-3-carboxamide (PubChem CID 119854606) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[3-(pyridin-2-ylamino)propyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(pyridin-2-ylamino)propyl]pyrrolidine-3-carboxamide
PubChem CID119854606
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-[3-(pyridin-2-ylamino)propyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCCNc1ccccn1)C1CCNC1
InChIInChI=1S/C13H20N4O/c18-13(11-5-9-14-10-11)17-8-3-7-16-12-4-1-2-6-15-12/h1-2,4,6,11,14H,3,5,7-10H2,(H,15,16)(H,17,18)
InChIKeyZBSQJXNTCONWNP-UHFFFAOYSA-N
XLogP0.61
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(pyridin-2-ylamino)butyl]pyrrolidine-3-carboxamide
CID 119874721
N-[4-(pyridin-2-ylamino)butyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119874720
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrrolidine-3-carboxamide
CID 119888082
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119888081
N-(3-anilinopropyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 119867816
3-piperidin-4-yl-N-[3-(pyridin-2-ylamino)propyl]butanamide
CID 119854588
N-[3-(pyridin-2-ylamino)propyl]morpholine-3-carboxamide
CID 119854546
N-(3-pyridin-2-ylpropyl)azepane-4-carboxamide
CID 122565402
1-[(3S)-2-oxoazepan-3-yl]-3-[3-(pyridin-2-ylamino)propyl]urea
CID 94058400
N-[3-(N-methylanilino)propyl]pyrrolidine-3-carboxamide
CID 63005380
N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119869411
N-(3-pyridin-2-ylpropyl)azepane-4-carboxamide;dihydrochloride
CID 154910386

Frequently Asked Questions

What is the IUPAC name of N-[3-(pyridin-2-ylamino)propyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(pyridin-2-ylamino)propyl]pyrrolidine-3-carboxamide (CID 119854606) is N-[3-(pyridin-2-ylamino)propyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(pyridin-2-ylamino)propyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(pyridin-2-ylamino)propyl]pyrrolidine-3-carboxamide is O=C(NCCCNc1ccccn1)C1CCNC1.
What is the InChIKey of N-[3-(pyridin-2-ylamino)propyl]pyrrolidine-3-carboxamide?
The InChIKey is ZBSQJXNTCONWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c18-13(11-5-9-14-10-11)17-8-3-7-16-12-4-1-2-6-15-12/h1-2,4,6,11,14H,3,5,7-10H2,(H,15,16)(H,17,18).
What are the key properties of N-[3-(pyridin-2-ylamino)propyl]pyrrolidine-3-carboxamide?
N-[3-(pyridin-2-ylamino)propyl]pyrrolidine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyridin-2-ylamino)propyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119854606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).