N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4-phenylpyridine-2-carboxamide

C26H28N4O2 — CID 25054987

IUPACN-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4-phenylpyridine-2-carboxamide
SMILESCN1CCN(c2cccc3c2C[C@H](NC(=O)c2cc(-c4ccccc4)ccn2)CO3)CC1
InChIInChI=1S/C26H28N4O2/c1-29-12-14-30(15-13-29)24-8-5-9-25-22(24)17-21(18-32-25)28-26(31)23-16-20(10-11-27-23)19-6-3-2-4-7-19/h2-11,16,21H,12-15,17-18H2,1H3,(H,28,31)/t21-/m0/s1
InChIKeyXJHCZDAYRIDFFX-NRFANRHFSA-N
MW428.54 g/mol
LogP3.23
Rot. Bonds4

About N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4-phenylpyridine-2-carboxamide

N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4-phenylpyridine-2-carboxamide (PubChem CID 25054987) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4-phenylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4-phenylpyridine-2-carboxamide
PubChem CID25054987
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC NameN-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4-phenylpyridine-2-carboxamide
SMILESCN1CCN(c2cccc3c2C[C@H](NC(=O)c2cc(-c4ccccc4)ccn2)CO3)CC1
InChIInChI=1S/C26H28N4O2/c1-29-12-14-30(15-13-29)24-8-5-9-25-22(24)17-21(18-32-25)28-26(31)23-16-20(10-11-27-23)19-6-3-2-4-7-19/h2-11,16,21H,12-15,17-18H2,1H3,(H,28,31)/t21-/m0/s1
InChIKeyXJHCZDAYRIDFFX-NRFANRHFSA-N
XLogP3.23
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4-phenylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4-phenylpyridine-2-carboxamide?
The IUPAC name of N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4-phenylpyridine-2-carboxamide (CID 25054987) is N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4-phenylpyridine-2-carboxamide.
What is the SMILES notation for N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4-phenylpyridine-2-carboxamide?
The canonical SMILES for N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4-phenylpyridine-2-carboxamide is CN1CCN(c2cccc3c2C[C@H](NC(=O)c2cc(-c4ccccc4)ccn2)CO3)CC1.
What is the InChIKey of N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4-phenylpyridine-2-carboxamide?
The InChIKey is XJHCZDAYRIDFFX-NRFANRHFSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-29-12-14-30(15-13-29)24-8-5-9-25-22(24)17-21(18-32-25)28-26(31)23-16-20(10-11-27-23)19-6-3-2-4-7-19/h2-11,16,21H,12-15,17-18H2,1H3,(H,28,31)/t21-/m0/s1.
What are the key properties of N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4-phenylpyridine-2-carboxamide?
N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4-phenylpyridine-2-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4-phenylpyridine-2-carboxamide is sourced from PubChem (CID 25054987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).