4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide

C19H25N5O — CID 56866828

IUPAC4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cc(N[C@@H]2C[C@H]3CC[C@@H]2C3)ccn1
InChIInChI=1S/C19H25N5O/c25-19(22-5-1-8-24-9-7-20-13-24)18-12-16(4-6-21-18)23-17-11-14-2-3-15(17)10-14/h4,6-7,9,12-15,17H,1-3,5,8,10-11H2,(H,21,23)(H,22,25)/t14-,15+,17+/m0/s1
InChIKeyFQJAGQZSJSWKTD-ZMSDIMECSA-N
MW339.44 g/mol
LogP2.70
Rot. Bonds7

About 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide

4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide (PubChem CID 56866828) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide
PubChem CID56866828
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cc(N[C@@H]2C[C@H]3CC[C@@H]2C3)ccn1
InChIInChI=1S/C19H25N5O/c25-19(22-5-1-8-24-9-7-20-13-24)18-12-16(4-6-21-18)23-17-11-14-2-3-15(17)10-14/h4,6-7,9,12-15,17H,1-3,5,8,10-11H2,(H,21,23)(H,22,25)/t14-,15+,17+/m0/s1
InChIKeyFQJAGQZSJSWKTD-ZMSDIMECSA-N
XLogP2.70
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-N,4-N-bis(3-imidazol-1-ylpropyl)pyridine-2,4-dicarboxamide
CID 10177866
4-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 62175846
4-chloro-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 61229321
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-imidazol-1-ylpropan-1-amine
CID 63683145
N-[[(2S,5R)-5-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]pyrazine-2-carboxamide
CID 170510742
N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 47447578
5-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 104640721
(1S,2R,3R,4S)-3-(3-imidazol-1-ylpropylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 124716070
6-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide
CID 113323370
2-amino-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 105384706
5-carbamothioyl-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide
CID 63724768
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide?
The IUPAC name of 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide (CID 56866828) is 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide is O=C(NCCCn1ccnc1)c1cc(N[C@@H]2C[C@H]3CC[C@@H]2C3)ccn1.
What is the InChIKey of 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide?
The InChIKey is FQJAGQZSJSWKTD-ZMSDIMECSA-N. The full InChI is InChI=1S/C19H25N5O/c25-19(22-5-1-8-24-9-7-20-13-24)18-12-16(4-6-21-18)23-17-11-14-2-3-15(17)10-14/h4,6-7,9,12-15,17H,1-3,5,8,10-11H2,(H,21,23)(H,22,25)/t14-,15+,17+/m0/s1.
What are the key properties of 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide?
4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 56866828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).