5-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide

C14H22N4O — CID 55229822

IUPAC5-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide
SMILESNCc1ccc(C(=O)NCCCN2CCCC2)nc1
InChIInChI=1S/C14H22N4O/c15-10-12-4-5-13(17-11-12)14(19)16-6-3-9-18-7-1-2-8-18/h4-5,11H,1-3,6-10,15H2,(H,16,19)
InChIKeyZFMKEYQRILNRBB-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.76
Rot. Bonds6

About 5-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide

5-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide (PubChem CID 55229822) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide
PubChem CID55229822
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name5-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide
SMILESNCc1ccc(C(=O)NCCCN2CCCC2)nc1
InChIInChI=1S/C14H22N4O/c15-10-12-4-5-13(17-11-12)14(19)16-6-3-9-18-7-1-2-8-18/h4-5,11H,1-3,6-10,15H2,(H,16,19)
InChIKeyZFMKEYQRILNRBB-UHFFFAOYSA-N
XLogP0.76
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(aminomethyl)-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide
CID 63724906
5-(aminomethyl)-N-(3-cyclopentylpropyl)pyridine-2-carboxamide
CID 106016244
5-pentyl-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide
CID 172619049
5-(aminomethyl)-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 63723354
2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide
CID 4595283
6-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridazine-3-carboxamide
CID 62989713
N-(3-pyrrolidin-1-ylpropyl)quinoline-2-carboxamide
CID 51110395
5-carbamothioyl-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 63724916
2-amino-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 62787661
2-amino-5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
CID 114923433
5-cyano-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 63717300
5-(aminomethyl)-N-benzylpyridine-2-carboxamide
CID 55230776

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide (CID 55229822) is 5-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide is NCc1ccc(C(=O)NCCCN2CCCC2)nc1.
What is the InChIKey of 5-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide?
The InChIKey is ZFMKEYQRILNRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c15-10-12-4-5-13(17-11-12)14(19)16-6-3-9-18-7-1-2-8-18/h4-5,11H,1-3,6-10,15H2,(H,16,19).
What are the key properties of 5-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide?
5-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 55229822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).