N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,8-naphthyridine-2-carboxamide

C18H19N5O2 — CID 146110346

IUPACN-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,8-naphthyridine-2-carboxamide
SMILESO=C(N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1ccc2cccnc2n1
InChIInChI=1S/C18H19N5O2/c24-16-9-12(10-23-7-6-19-11-23)8-15(16)22-18(25)14-4-3-13-2-1-5-20-17(13)21-14/h1-7,11-12,15-16,24H,8-10H2,(H,22,25)/t12?,15-,16-/m1/s1
InChIKeyDJIHMFHEAXLWDC-XHAYOOOLSA-N
MW337.38 g/mol
LogP1.40
Rot. Bonds4

About N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,8-naphthyridine-2-carboxamide

N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,8-naphthyridine-2-carboxamide (PubChem CID 146110346) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,8-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,8-naphthyridine-2-carboxamide
PubChem CID146110346
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,8-naphthyridine-2-carboxamide
SMILESO=C(N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1ccc2cccnc2n1
InChIInChI=1S/C18H19N5O2/c24-16-9-12(10-23-7-6-19-11-23)8-15(16)22-18(25)14-4-3-13-2-1-5-20-17(13)21-14/h1-7,11-12,15-16,24H,8-10H2,(H,22,25)/t12?,15-,16-/m1/s1
InChIKeyDJIHMFHEAXLWDC-XHAYOOOLSA-N
XLogP1.40
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,8-naphthyridine-2-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,8-naphthyridine-2-carboxamide (CID 146110346) is N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,8-naphthyridine-2-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,8-naphthyridine-2-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,8-naphthyridine-2-carboxamide is O=C(N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1ccc2cccnc2n1.
What is the InChIKey of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,8-naphthyridine-2-carboxamide?
The InChIKey is DJIHMFHEAXLWDC-XHAYOOOLSA-N. The full InChI is InChI=1S/C18H19N5O2/c24-16-9-12(10-23-7-6-19-11-23)8-15(16)22-18(25)14-4-3-13-2-1-5-20-17(13)21-14/h1-7,11-12,15-16,24H,8-10H2,(H,22,25)/t12?,15-,16-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,8-naphthyridine-2-carboxamide?
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,8-naphthyridine-2-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,8-naphthyridine-2-carboxamide is sourced from PubChem (CID 146110346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).