(4S)-2,7-diamino-4-pyridin-4-yl-4H-chromene-3-carbonitrile

C15H12N4O — CID 749457

IUPAC(4S)-2,7-diamino-4-pyridin-4-yl-4H-chromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2cc(N)ccc2[C@@H]1c1ccncc1
InChIInChI=1S/C15H12N4O/c16-8-12-14(9-3-5-19-6-4-9)11-2-1-10(17)7-13(11)20-15(12)18/h1-7,14H,17-18H2/t14-/m0/s1
InChIKeyUBSXLRNZVVIGMQ-AWEZNQCLSA-N
MW264.29 g/mol
LogP1.88
Rot. Bonds1

About (4S)-2,7-diamino-4-pyridin-4-yl-4H-chromene-3-carbonitrile

(4S)-2,7-diamino-4-pyridin-4-yl-4H-chromene-3-carbonitrile (PubChem CID 749457) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is (4S)-2,7-diamino-4-pyridin-4-yl-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name(4S)-2,7-diamino-4-pyridin-4-yl-4H-chromene-3-carbonitrile
PubChem CID749457
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name(4S)-2,7-diamino-4-pyridin-4-yl-4H-chromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2cc(N)ccc2[C@@H]1c1ccncc1
InChIInChI=1S/C15H12N4O/c16-8-12-14(9-3-5-19-6-4-9)11-2-1-10(17)7-13(11)20-15(12)18/h1-7,14H,17-18H2/t14-/m0/s1
InChIKeyUBSXLRNZVVIGMQ-AWEZNQCLSA-N
XLogP1.88
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4R)-2,7-diamino-4-(4-tert-butylphenyl)-4H-chromene-3-carbonitrile
CID 40841853
2,7-diamino-4-(3,4-dichlorophenyl)-4H-chromene-3-carbonitrile
CID 2838875
2,7-diamino-4-thiophen-3-yl-4H-chromene-3-carbonitrile
CID 2839508
(4S)-2,7-diamino-4-(3-iodophenyl)-4H-chromene-3-carbonitrile
CID 1243366
(4R)-2,7-diamino-4-(4-propoxyphenyl)-4H-chromene-3-carbonitrile
CID 40841877
(4R)-2,7-diamino-4-(2-chlorophenyl)-4H-chromene-3-carbonitrile
CID 749460
(4S)-2,7-diamino-4-(3-bromo-4,5-dimethoxyphenyl)-4H-chromene-3-carbonitrile
CID 51688662
(2-amino-3-cyano-4-pyridin-4-yl-4H-chromen-7-yl) 2-methylbenzoate
CID 139582166
(4R)-2-amino-4-(3,5-dimethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile
CID 92974508
2-amino-6-chloro-4-pyridin-4-yl-4H-benzo[h]chromene-3-carbonitrile
CID 53396579
(4R)-2-amino-4-(3-iodophenyl)-4H-pyrano[2,3-c]pyridine-3-carbonitrile
CID 40527910
(4R)-2-amino-7-hydroxy-4-(4-methylphenyl)-4H-chromene-3-carbonitrile
CID 752580

Frequently Asked Questions

What is the IUPAC name of (4S)-2,7-diamino-4-pyridin-4-yl-4H-chromene-3-carbonitrile?
The IUPAC name of (4S)-2,7-diamino-4-pyridin-4-yl-4H-chromene-3-carbonitrile (CID 749457) is (4S)-2,7-diamino-4-pyridin-4-yl-4H-chromene-3-carbonitrile.
What is the SMILES notation for (4S)-2,7-diamino-4-pyridin-4-yl-4H-chromene-3-carbonitrile?
The canonical SMILES for (4S)-2,7-diamino-4-pyridin-4-yl-4H-chromene-3-carbonitrile is N#CC1=C(N)Oc2cc(N)ccc2[C@@H]1c1ccncc1.
What is the InChIKey of (4S)-2,7-diamino-4-pyridin-4-yl-4H-chromene-3-carbonitrile?
The InChIKey is UBSXLRNZVVIGMQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H12N4O/c16-8-12-14(9-3-5-19-6-4-9)11-2-1-10(17)7-13(11)20-15(12)18/h1-7,14H,17-18H2/t14-/m0/s1.
What are the key properties of (4S)-2,7-diamino-4-pyridin-4-yl-4H-chromene-3-carbonitrile?
(4S)-2,7-diamino-4-pyridin-4-yl-4H-chromene-3-carbonitrile has a molecular weight of 264.29 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,7-diamino-4-pyridin-4-yl-4H-chromene-3-carbonitrile is sourced from PubChem (CID 749457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).