N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3,4-dihydro-2H-chromene-6-carboxamide

C19H23N3O3 — CID 166286243

IUPACN-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3,4-dihydro-2H-chromene-6-carboxamide
SMILESO=C(N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1ccc2c(c1)CCCO2
InChIInChI=1S/C19H23N3O3/c23-17-9-13(11-22-6-5-20-12-22)8-16(17)21-19(24)15-3-4-18-14(10-15)2-1-7-25-18/h3-6,10,12-13,16-17,23H,1-2,7-9,11H2,(H,21,24)/t13?,16-,17-/m1/s1
InChIKeyZIKDAKQQJZGUMM-SYFTWWQRSA-N
MW341.41 g/mol
LogP1.78
Rot. Bonds4

About N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3,4-dihydro-2H-chromene-6-carboxamide

N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3,4-dihydro-2H-chromene-6-carboxamide (PubChem CID 166286243) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3,4-dihydro-2H-chromene-6-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3,4-dihydro-2H-chromene-6-carboxamide
PubChem CID166286243
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3,4-dihydro-2H-chromene-6-carboxamide
SMILESO=C(N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1ccc2c(c1)CCCO2
InChIInChI=1S/C19H23N3O3/c23-17-9-13(11-22-6-5-20-12-22)8-16(17)21-19(24)15-3-4-18-14(10-15)2-1-7-25-18/h3-6,10,12-13,16-17,23H,1-2,7-9,11H2,(H,21,24)/t13?,16-,17-/m1/s1
InChIKeyZIKDAKQQJZGUMM-SYFTWWQRSA-N
XLogP1.78
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3,4-dihydro-2H-chromene-6-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3,4-dihydro-2H-chromene-6-carboxamide (CID 166286243) is N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3,4-dihydro-2H-chromene-6-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3,4-dihydro-2H-chromene-6-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3,4-dihydro-2H-chromene-6-carboxamide is O=C(N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1ccc2c(c1)CCCO2.
What is the InChIKey of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3,4-dihydro-2H-chromene-6-carboxamide?
The InChIKey is ZIKDAKQQJZGUMM-SYFTWWQRSA-N. The full InChI is InChI=1S/C19H23N3O3/c23-17-9-13(11-22-6-5-20-12-22)8-16(17)21-19(24)15-3-4-18-14(10-15)2-1-7-25-18/h3-6,10,12-13,16-17,23H,1-2,7-9,11H2,(H,21,24)/t13?,16-,17-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3,4-dihydro-2H-chromene-6-carboxamide?
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3,4-dihydro-2H-chromene-6-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3,4-dihydro-2H-chromene-6-carboxamide is sourced from PubChem (CID 166286243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).