(3R)-N-cyclopropyl-7-methoxy-N-[(1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide

C19H23N3O3 — CID 95152442

IUPAC(3R)-N-cyclopropyl-7-methoxy-N-[(1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)OC[C@H](C(=O)N(Cc1nccn1C)C1CC1)C2
InChIInChI=1S/C19H23N3O3/c1-21-8-7-20-18(21)11-22(15-4-5-15)19(23)14-9-13-3-6-16(24-2)10-17(13)25-12-14/h3,6-8,10,14-15H,4-5,9,11-12H2,1-2H3/t14-/m1/s1
InChIKeyPLTRVCWLGJPJRQ-CQSZACIVSA-N
MW341.41 g/mol
LogP2.17
Rot. Bonds5

About (3R)-N-cyclopropyl-7-methoxy-N-[(1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide

(3R)-N-cyclopropyl-7-methoxy-N-[(1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 95152442) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (3R)-N-cyclopropyl-7-methoxy-N-[(1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclopropyl-7-methoxy-N-[(1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID95152442
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(3R)-N-cyclopropyl-7-methoxy-N-[(1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)OC[C@H](C(=O)N(Cc1nccn1C)C1CC1)C2
InChIInChI=1S/C19H23N3O3/c1-21-8-7-20-18(21)11-22(15-4-5-15)19(23)14-9-13-3-6-16(24-2)10-17(13)25-12-14/h3,6-8,10,14-15H,4-5,9,11-12H2,1-2H3/t14-/m1/s1
InChIKeyPLTRVCWLGJPJRQ-CQSZACIVSA-N
XLogP2.17
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopropyl-7-methoxy-N-[(1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3R)-N-cyclopropyl-7-methoxy-N-[(1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 95152442) is (3R)-N-cyclopropyl-7-methoxy-N-[(1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclopropyl-7-methoxy-N-[(1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3R)-N-cyclopropyl-7-methoxy-N-[(1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide is COc1ccc2c(c1)OC[C@H](C(=O)N(Cc1nccn1C)C1CC1)C2.
What is the InChIKey of (3R)-N-cyclopropyl-7-methoxy-N-[(1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is PLTRVCWLGJPJRQ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-21-8-7-20-18(21)11-22(15-4-5-15)19(23)14-9-13-3-6-16(24-2)10-17(13)25-12-14/h3,6-8,10,14-15H,4-5,9,11-12H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-N-cyclopropyl-7-methoxy-N-[(1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
(3R)-N-cyclopropyl-7-methoxy-N-[(1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclopropyl-7-methoxy-N-[(1-methylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 95152442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).