4-[2-(2-hydroxyethylamino)-4-pyridinyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide

C23H25N3O3 — CID 155518157

IUPAC4-[2-(2-hydroxyethylamino)-4-pyridinyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
SMILESCOc1cccc([C@@H](C)NC(=O)c2ccc(-c3ccnc(NCCO)c3)cc2)c1
InChIInChI=1S/C23H25N3O3/c1-16(19-4-3-5-21(14-19)29-2)26-23(28)18-8-6-17(7-9-18)20-10-11-24-22(15-20)25-12-13-27/h3-11,14-16,27H,12-13H2,1-2H3,(H,24,25)(H,26,28)/t16-/m1/s1
InChIKeyQKXWMPBLWWYVHA-MRXNPFEDSA-N
MW391.47 g/mol
LogP3.65
Rot. Bonds8

About 4-[2-(2-hydroxyethylamino)-4-pyridinyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide

4-[2-(2-hydroxyethylamino)-4-pyridinyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide (PubChem CID 155518157) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 4-[2-(2-hydroxyethylamino)-4-pyridinyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[2-(2-hydroxyethylamino)-4-pyridinyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
PubChem CID155518157
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name4-[2-(2-hydroxyethylamino)-4-pyridinyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
SMILESCOc1cccc([C@@H](C)NC(=O)c2ccc(-c3ccnc(NCCO)c3)cc2)c1
InChIInChI=1S/C23H25N3O3/c1-16(19-4-3-5-21(14-19)29-2)26-23(28)18-8-6-17(7-9-18)20-10-11-24-22(15-20)25-12-13-27/h3-11,14-16,27H,12-13H2,1-2H3,(H,24,25)(H,26,28)/t16-/m1/s1
InChIKeyQKXWMPBLWWYVHA-MRXNPFEDSA-N
XLogP3.65
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,6-dimethyl-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 68511029
4-amino-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 60927518
4-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 81373217
4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 97043915
2-methoxy-N-[1-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide
CID 74430495
N-[1-(3-methoxyphenyl)ethyl]quinoline-6-carboxamide
CID 69276532
N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-(4-methylphenyl)pyridine-3-carboxamide
CID 95053218
2-(2-methoxyethylamino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109166864
N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
CID 46091971
4-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbenzamide
CID 118662917
N-[1-(3-methoxyphenyl)ethyl]-2-phenylbenzamide
CID 154835213
N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide
CID 40636094

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxyethylamino)-4-pyridinyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-[2-(2-hydroxyethylamino)-4-pyridinyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide (CID 155518157) is 4-[2-(2-hydroxyethylamino)-4-pyridinyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-[2-(2-hydroxyethylamino)-4-pyridinyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-[2-(2-hydroxyethylamino)-4-pyridinyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide is COc1cccc([C@@H](C)NC(=O)c2ccc(-c3ccnc(NCCO)c3)cc2)c1.
What is the InChIKey of 4-[2-(2-hydroxyethylamino)-4-pyridinyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide?
The InChIKey is QKXWMPBLWWYVHA-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16(19-4-3-5-21(14-19)29-2)26-23(28)18-8-6-17(7-9-18)20-10-11-24-22(15-20)25-12-13-27/h3-11,14-16,27H,12-13H2,1-2H3,(H,24,25)(H,26,28)/t16-/m1/s1.
What are the key properties of 4-[2-(2-hydroxyethylamino)-4-pyridinyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide?
4-[2-(2-hydroxyethylamino)-4-pyridinyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide has a molecular weight of 391.47 g/mol, XLogP of 3.65, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxyethylamino)-4-pyridinyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 155518157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).