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

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Related Compounds

4-(dimethylamino)-N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 22896535
1-benzyl-3-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-1-propan-2-ylurea
CID 25054985
N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-4-propan-2-yloxybenzamide
CID 25054984
[4-[[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]phenyl] trifluoromethanesulfonate
CID 25054728
2-hydroxy-4-methoxy-N-[5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 22064018
N-[4-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]butoxy]benzamide
CID 54056567
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 93499192
4-(4-hydroxyphenyl)-N-[8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 18475734
4-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
CID 109208362
N-(3,4-dihydro-2H-chromen-3-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70739420
2-N-cyclopropyl-4-N-(2-morpholin-4-ylphenyl)pyridine-2,4-dicarboxamide
CID 109078752
N-(3,4-dihydro-2H-chromen-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 119041092

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).