N-[(1R,2S,3R,4R)-4-[(4-cyclopropyltriazol-1-yl)methyl]-2,3-dihydroxycyclopentyl]pyridine-3-carboxamide

C17H21N5O3 — CID 75529334

IUPACN-[(1R,2S,3R,4R)-4-[(4-cyclopropyltriazol-1-yl)methyl]-2,3-dihydroxycyclopentyl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1C[C@H](Cn2cc(C3CC3)nn2)[C@@H](O)[C@H]1O)c1cccnc1
InChIInChI=1S/C17H21N5O3/c23-15-12(8-22-9-14(20-21-22)10-3-4-10)6-13(16(15)24)19-17(25)11-2-1-5-18-7-11/h1-2,5,7,9-10,12-13,15-16,23-24H,3-4,6,8H2,(H,19,25)/t12-,13-,15-,16+/m1/s1
InChIKeyVTPDVUKKXYVHKN-XOUADPBQSA-N
MW343.39 g/mol
LogP0.09
Rot. Bonds5

About N-[(1R,2S,3R,4R)-4-[(4-cyclopropyltriazol-1-yl)methyl]-2,3-dihydroxycyclopentyl]pyridine-3-carboxamide

N-[(1R,2S,3R,4R)-4-[(4-cyclopropyltriazol-1-yl)methyl]-2,3-dihydroxycyclopentyl]pyridine-3-carboxamide (PubChem CID 75529334) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[(1R,2S,3R,4R)-4-[(4-cyclopropyltriazol-1-yl)methyl]-2,3-dihydroxycyclopentyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,4R)-4-[(4-cyclopropyltriazol-1-yl)methyl]-2,3-dihydroxycyclopentyl]pyridine-3-carboxamide
PubChem CID75529334
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC NameN-[(1R,2S,3R,4R)-4-[(4-cyclopropyltriazol-1-yl)methyl]-2,3-dihydroxycyclopentyl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1C[C@H](Cn2cc(C3CC3)nn2)[C@@H](O)[C@H]1O)c1cccnc1
InChIInChI=1S/C17H21N5O3/c23-15-12(8-22-9-14(20-21-22)10-3-4-10)6-13(16(15)24)19-17(25)11-2-1-5-18-7-11/h1-2,5,7,9-10,12-13,15-16,23-24H,3-4,6,8H2,(H,19,25)/t12-,13-,15-,16+/m1/s1
InChIKeyVTPDVUKKXYVHKN-XOUADPBQSA-N
XLogP0.09
TPSA113.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,4R)-4-[(4-cyclopropyltriazol-1-yl)methyl]-2,3-dihydroxycyclopentyl]pyridine-3-carboxamide?
The IUPAC name of N-[(1R,2S,3R,4R)-4-[(4-cyclopropyltriazol-1-yl)methyl]-2,3-dihydroxycyclopentyl]pyridine-3-carboxamide (CID 75529334) is N-[(1R,2S,3R,4R)-4-[(4-cyclopropyltriazol-1-yl)methyl]-2,3-dihydroxycyclopentyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,2S,3R,4R)-4-[(4-cyclopropyltriazol-1-yl)methyl]-2,3-dihydroxycyclopentyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(1R,2S,3R,4R)-4-[(4-cyclopropyltriazol-1-yl)methyl]-2,3-dihydroxycyclopentyl]pyridine-3-carboxamide is O=C(N[C@@H]1C[C@H](Cn2cc(C3CC3)nn2)[C@@H](O)[C@H]1O)c1cccnc1.
What is the InChIKey of N-[(1R,2S,3R,4R)-4-[(4-cyclopropyltriazol-1-yl)methyl]-2,3-dihydroxycyclopentyl]pyridine-3-carboxamide?
The InChIKey is VTPDVUKKXYVHKN-XOUADPBQSA-N. The full InChI is InChI=1S/C17H21N5O3/c23-15-12(8-22-9-14(20-21-22)10-3-4-10)6-13(16(15)24)19-17(25)11-2-1-5-18-7-11/h1-2,5,7,9-10,12-13,15-16,23-24H,3-4,6,8H2,(H,19,25)/t12-,13-,15-,16+/m1/s1.
What are the key properties of N-[(1R,2S,3R,4R)-4-[(4-cyclopropyltriazol-1-yl)methyl]-2,3-dihydroxycyclopentyl]pyridine-3-carboxamide?
N-[(1R,2S,3R,4R)-4-[(4-cyclopropyltriazol-1-yl)methyl]-2,3-dihydroxycyclopentyl]pyridine-3-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R,4R)-4-[(4-cyclopropyltriazol-1-yl)methyl]-2,3-dihydroxycyclopentyl]pyridine-3-carboxamide is sourced from PubChem (CID 75529334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).