4-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2,4-dicarboxamide

C15H15N3O3 — CID 99804582

IUPAC4-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2,4-dicarboxamide
SMILESNC(=O)c1cc(C(=O)N[C@H]2CCOc3ccccc32)c[nH]1
InChIInChI=1S/C15H15N3O3/c16-14(19)12-7-9(8-17-12)15(20)18-11-5-6-21-13-4-2-1-3-10(11)13/h1-4,7-8,11,17H,5-6H2,(H2,16,19)(H,18,20)/t11-/m0/s1
InChIKeyFNWKXBJXHHGCRD-NSHDSACASA-N
MW285.30 g/mol
LogP1.37
Rot. Bonds3

About 4-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2,4-dicarboxamide

4-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2,4-dicarboxamide (PubChem CID 99804582) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2,4-dicarboxamide
PubChem CID99804582
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name4-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2,4-dicarboxamide
SMILESNC(=O)c1cc(C(=O)N[C@H]2CCOc3ccccc32)c[nH]1
InChIInChI=1S/C15H15N3O3/c16-14(19)12-7-9(8-17-12)15(20)18-11-5-6-21-13-4-2-1-3-10(11)13/h1-4,7-8,11,17H,5-6H2,(H2,16,19)(H,18,20)/t11-/m0/s1
InChIKeyFNWKXBJXHHGCRD-NSHDSACASA-N
XLogP1.37
TPSA97.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 43709544
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2-carboxamide
CID 95572299
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2-carboxamide
CID 95572300
3,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 46813722
N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide
CID 103955438
N-(3,4-dihydro-2H-chromen-4-yl)pyridine-4-carboxamide
CID 18164392
3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 18164397
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-4-methylbenzamide
CID 43709554
3,5-diacetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]benzamide
CID 39952245
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-indole-2-carboxamide
CID 9159432
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 94526998
5-cyclopropyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrazole-3-carboxamide
CID 94179713

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2,4-dicarboxamide?
The IUPAC name of 4-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2,4-dicarboxamide (CID 99804582) is 4-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2,4-dicarboxamide?
The canonical SMILES for 4-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2,4-dicarboxamide is NC(=O)c1cc(C(=O)N[C@H]2CCOc3ccccc32)c[nH]1.
What is the InChIKey of 4-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2,4-dicarboxamide?
The InChIKey is FNWKXBJXHHGCRD-NSHDSACASA-N. The full InChI is InChI=1S/C15H15N3O3/c16-14(19)12-7-9(8-17-12)15(20)18-11-5-6-21-13-4-2-1-3-10(11)13/h1-4,7-8,11,17H,5-6H2,(H2,16,19)(H,18,20)/t11-/m0/s1.
What are the key properties of 4-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2,4-dicarboxamide?
4-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2,4-dicarboxamide has a molecular weight of 285.30 g/mol, XLogP of 1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2,4-dicarboxamide is sourced from PubChem (CID 99804582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).