N-[(S)-(4-chlorophenyl)-pyridin-4-ylmethyl]-2-(methylamino)acetamide

C15H16ClN3O — CID 95555613

IUPACN-[(S)-(4-chlorophenyl)-pyridin-4-ylmethyl]-2-(methylamino)acetamide
SMILESCNCC(=O)N[C@H](c1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3O/c1-17-10-14(20)19-15(12-6-8-18-9-7-12)11-2-4-13(16)5-3-11/h2-9,15,17H,10H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeyQMXVJRJQRWYTLR-HNNXBMFYSA-N
MW289.77 g/mol
LogP2.16
Rot. Bonds5

About N-[(S)-(4-chlorophenyl)-pyridin-4-ylmethyl]-2-(methylamino)acetamide

N-[(S)-(4-chlorophenyl)-pyridin-4-ylmethyl]-2-(methylamino)acetamide (PubChem CID 95555613) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is N-[(S)-(4-chlorophenyl)-pyridin-4-ylmethyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[(S)-(4-chlorophenyl)-pyridin-4-ylmethyl]-2-(methylamino)acetamide
PubChem CID95555613
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC NameN-[(S)-(4-chlorophenyl)-pyridin-4-ylmethyl]-2-(methylamino)acetamide
SMILESCNCC(=O)N[C@H](c1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3O/c1-17-10-14(20)19-15(12-6-8-18-9-7-12)11-2-4-13(16)5-3-11/h2-9,15,17H,10H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeyQMXVJRJQRWYTLR-HNNXBMFYSA-N
XLogP2.16
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 81409723
N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 91765018
2-(methylamino)-N-[1-(4-pyridin-4-ylphenyl)ethyl]acetamide
CID 120704833
N-[bis(4-methoxyphenyl)methyl]-2-(methylamino)acetamide
CID 18197515
N-[(4-chlorophenyl)-pyridin-4-ylmethyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 110245206
N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-5-methyl-1H-imidazole-4-carboxamide
CID 95549573
N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-5-(hydroxymethyl)furan-2-carboxamide
CID 99938366
2-chloro-N-[(S)-(4-chlorophenyl)-phenylmethyl]acetamide
CID 2466705
N-(4-chlorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide
CID 81410060
N-[(4-chlorophenyl)-phenylmethyl]-2-pyrazin-2-ylacetamide
CID 119052114
N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-2-pyrrolidin-1-ylacetamide
CID 124751214
4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40585280

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-chlorophenyl)-pyridin-4-ylmethyl]-2-(methylamino)acetamide?
The IUPAC name of N-[(S)-(4-chlorophenyl)-pyridin-4-ylmethyl]-2-(methylamino)acetamide (CID 95555613) is N-[(S)-(4-chlorophenyl)-pyridin-4-ylmethyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[(S)-(4-chlorophenyl)-pyridin-4-ylmethyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[(S)-(4-chlorophenyl)-pyridin-4-ylmethyl]-2-(methylamino)acetamide is CNCC(=O)N[C@H](c1ccncc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(S)-(4-chlorophenyl)-pyridin-4-ylmethyl]-2-(methylamino)acetamide?
The InChIKey is QMXVJRJQRWYTLR-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-17-10-14(20)19-15(12-6-8-18-9-7-12)11-2-4-13(16)5-3-11/h2-9,15,17H,10H2,1H3,(H,19,20)/t15-/m0/s1.
What are the key properties of N-[(S)-(4-chlorophenyl)-pyridin-4-ylmethyl]-2-(methylamino)acetamide?
N-[(S)-(4-chlorophenyl)-pyridin-4-ylmethyl]-2-(methylamino)acetamide has a molecular weight of 289.77 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-chlorophenyl)-pyridin-4-ylmethyl]-2-(methylamino)acetamide is sourced from PubChem (CID 95555613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).