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

C15H21N3O3 — CID 75367108

IUPACN-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NC[C@H]1OC[C@@H](NC2CCC2)[C@@H]1O)c1ccncc1
InChIInChI=1S/C15H21N3O3/c19-14-12(18-11-2-1-3-11)9-21-13(14)8-17-15(20)10-4-6-16-7-5-10/h4-7,11-14,18-19H,1-3,8-9H2,(H,17,20)/t12-,13-,14+/m1/s1
InChIKeyWXBUCKRUNNNQGE-MCIONIFRSA-N
MW291.35 g/mol
LogP0.08
Rot. Bonds5

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

N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide (PubChem CID 75367108) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide
PubChem CID75367108
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NC[C@H]1OC[C@@H](NC2CCC2)[C@@H]1O)c1ccncc1
InChIInChI=1S/C15H21N3O3/c19-14-12(18-11-2-1-3-11)9-21-13(14)8-17-15(20)10-4-6-16-7-5-10/h4-7,11-14,18-19H,1-3,8-9H2,(H,17,20)/t12-,13-,14+/m1/s1
InChIKeyWXBUCKRUNNNQGE-MCIONIFRSA-N
XLogP0.08
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.08
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-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide (CID 75367108) is N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide is O=C(NC[C@H]1OC[C@@H](NC2CCC2)[C@@H]1O)c1ccncc1.
What is the InChIKey of N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide?
The InChIKey is WXBUCKRUNNNQGE-MCIONIFRSA-N. The full InChI is InChI=1S/C15H21N3O3/c19-14-12(18-11-2-1-3-11)9-21-13(14)8-17-15(20)10-4-6-16-7-5-10/h4-7,11-14,18-19H,1-3,8-9H2,(H,17,20)/t12-,13-,14+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide?
N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.08, 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-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 75367108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).