N-[[(2R,3S,4R)-4-(cyclopentylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide

C16H23N3O3 — CID 75367109

IUPACN-[[(2R,3S,4R)-4-(cyclopentylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NC[C@H]1OC[C@@H](NC2CCCC2)[C@@H]1O)c1ccncc1
InChIInChI=1S/C16H23N3O3/c20-15-13(19-12-3-1-2-4-12)10-22-14(15)9-18-16(21)11-5-7-17-8-6-11/h5-8,12-15,19-20H,1-4,9-10H2,(H,18,21)/t13-,14-,15+/m1/s1
InChIKeyKEVUNCVLTDGDBH-KFWWJZLASA-N
MW305.38 g/mol
LogP0.47
Rot. Bonds5

About N-[[(2R,3S,4R)-4-(cyclopentylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide

N-[[(2R,3S,4R)-4-(cyclopentylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide (PubChem CID 75367109) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-(cyclopentylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-(cyclopentylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide
PubChem CID75367109
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-[[(2R,3S,4R)-4-(cyclopentylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NC[C@H]1OC[C@@H](NC2CCCC2)[C@@H]1O)c1ccncc1
InChIInChI=1S/C16H23N3O3/c20-15-13(19-12-3-1-2-4-12)10-22-14(15)9-18-16(21)11-5-7-17-8-6-11/h5-8,12-15,19-20H,1-4,9-10H2,(H,18,21)/t13-,14-,15+/m1/s1
InChIKeyKEVUNCVLTDGDBH-KFWWJZLASA-N
XLogP0.47
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-4-(cyclopentylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[(2R,3S,4R)-4-(cyclopentylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide (CID 75367109) is N-[[(2R,3S,4R)-4-(cyclopentylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-(cyclopentylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-(cyclopentylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide is O=C(NC[C@H]1OC[C@@H](NC2CCCC2)[C@@H]1O)c1ccncc1.
What is the InChIKey of N-[[(2R,3S,4R)-4-(cyclopentylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide?
The InChIKey is KEVUNCVLTDGDBH-KFWWJZLASA-N. The full InChI is InChI=1S/C16H23N3O3/c20-15-13(19-12-3-1-2-4-12)10-22-14(15)9-18-16(21)11-5-7-17-8-6-11/h5-8,12-15,19-20H,1-4,9-10H2,(H,18,21)/t13-,14-,15+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-(cyclopentylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide?
N-[[(2R,3S,4R)-4-(cyclopentylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-4-(cyclopentylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 75367109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).