N-[[(2S)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]pyridine-4-carboxamide

C21H17N3O2 — CID 129432071

IUPACN-[[(2S)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]pyridine-4-carboxamide
SMILESO=C(NN=C1C[C@@H](c2ccccc2)Oc2ccccc21)c1ccncc1
InChIInChI=1S/C21H17N3O2/c25-21(16-10-12-22-13-11-16)24-23-18-14-20(15-6-2-1-3-7-15)26-19-9-5-4-8-17(18)19/h1-13,20H,14H2,(H,24,25)/t20-/m0/s1
InChIKeyVKUGVGABPFGOCN-FQEVSTJZSA-N
MW343.39 g/mol
LogP3.74
Rot. Bonds3

About N-[[(2S)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]pyridine-4-carboxamide

N-[[(2S)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]pyridine-4-carboxamide (PubChem CID 129432071) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[[(2S)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]pyridine-4-carboxamide
PubChem CID129432071
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC NameN-[[(2S)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]pyridine-4-carboxamide
SMILESO=C(NN=C1C[C@@H](c2ccccc2)Oc2ccccc21)c1ccncc1
InChIInChI=1S/C21H17N3O2/c25-21(16-10-12-22-13-11-16)24-23-18-14-20(15-6-2-1-3-7-15)26-19-9-5-4-8-17(18)19/h1-13,20H,14H2,(H,24,25)/t20-/m0/s1
InChIKeyVKUGVGABPFGOCN-FQEVSTJZSA-N
XLogP3.74
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]pyridine-4-carboxamide?
The IUPAC name of N-[[(2S)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]pyridine-4-carboxamide (CID 129432071) is N-[[(2S)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[[(2S)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]pyridine-4-carboxamide?
The canonical SMILES for N-[[(2S)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]pyridine-4-carboxamide is O=C(NN=C1C[C@@H](c2ccccc2)Oc2ccccc21)c1ccncc1.
What is the InChIKey of N-[[(2S)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]pyridine-4-carboxamide?
The InChIKey is VKUGVGABPFGOCN-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H17N3O2/c25-21(16-10-12-22-13-11-16)24-23-18-14-20(15-6-2-1-3-7-15)26-19-9-5-4-8-17(18)19/h1-13,20H,14H2,(H,24,25)/t20-/m0/s1.
What are the key properties of N-[[(2S)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]pyridine-4-carboxamide?
N-[[(2S)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]pyridine-4-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]pyridine-4-carboxamide is sourced from PubChem (CID 129432071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).