2-[[(R)-(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-(cyanomethyl)acetamide

C16H15ClN4O — CID 96542751

IUPAC2-[[(R)-(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-(cyanomethyl)acetamide
SMILESN#CCNC(=O)CN[C@H](c1cccc(Cl)c1)c1ccccn1
InChIInChI=1S/C16H15ClN4O/c17-13-5-3-4-12(10-13)16(14-6-1-2-8-19-14)21-11-15(22)20-9-7-18/h1-6,8,10,16,21H,9,11H2,(H,20,22)/t16-/m1/s1
InChIKeyRUTCHJFEYNEXHP-MRXNPFEDSA-N
MW314.78 g/mol
LogP2.05
Rot. Bonds6

About 2-[[(R)-(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-(cyanomethyl)acetamide

2-[[(R)-(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-(cyanomethyl)acetamide (PubChem CID 96542751) has the molecular formula C16H15ClN4O and a molecular weight of 314.78 g/mol. Its IUPAC name is 2-[[(R)-(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-(cyanomethyl)acetamide.

Molecular Properties

Compound Name2-[[(R)-(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-(cyanomethyl)acetamide
PubChem CID96542751
Molecular FormulaC16H15ClN4O
Molecular Weight314.78 g/mol
Exact Mass314.09
IUPAC Name2-[[(R)-(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-(cyanomethyl)acetamide
SMILESN#CCNC(=O)CN[C@H](c1cccc(Cl)c1)c1ccccn1
InChIInChI=1S/C16H15ClN4O/c17-13-5-3-4-12(10-13)16(14-6-1-2-8-19-14)21-11-15(22)20-9-7-18/h1-6,8,10,16,21H,9,11H2,(H,20,22)/t16-/m1/s1
InChIKeyRUTCHJFEYNEXHP-MRXNPFEDSA-N
XLogP2.05
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-[[(S)-phenyl(pyridin-2-yl)methyl]amino]-N-propylacetamide
CID 34156353
N-[(1R)-1-phenylethyl]-2-[[(R)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 32725839
N-[(1R)-1-phenylethyl]-2-[[(S)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 32725829
4-amino-N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-methoxybutanamide
CID 120597413
2-[1-(3-chlorophenyl)ethylamino]-N-(2-cyanoethyl)acetamide
CID 60694877
(1S)-1-(3-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]-1-pyridin-2-ylmethanamine
CID 97075751
N-(3-chlorophenyl)-2-(1-pyridin-2-ylethylamino)acetamide
CID 43396868
methyl 3-phenyl-2-[[2-[[phenyl(pyridin-2-yl)methyl]amino]acetyl]amino]propanoate
CID 78825131
N-[(2-fluorophenyl)methyl]-2-[[(R)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 34159063
6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-propylpyridine-3-carboxamide
CID 133364093
1-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-(furan-2-ylmethyl)urea
CID 71970121
N-[(R)-(3-chlorophenyl)-pyridin-2-ylmethyl]-3-(furan-2-yl)propanamide
CID 97084688

Frequently Asked Questions

What is the IUPAC name of 2-[[(R)-(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-(cyanomethyl)acetamide?
The IUPAC name of 2-[[(R)-(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-(cyanomethyl)acetamide (CID 96542751) is 2-[[(R)-(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-(cyanomethyl)acetamide.
What is the SMILES notation for 2-[[(R)-(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-(cyanomethyl)acetamide?
The canonical SMILES for 2-[[(R)-(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-(cyanomethyl)acetamide is N#CCNC(=O)CN[C@H](c1cccc(Cl)c1)c1ccccn1.
What is the InChIKey of 2-[[(R)-(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-(cyanomethyl)acetamide?
The InChIKey is RUTCHJFEYNEXHP-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H15ClN4O/c17-13-5-3-4-12(10-13)16(14-6-1-2-8-19-14)21-11-15(22)20-9-7-18/h1-6,8,10,16,21H,9,11H2,(H,20,22)/t16-/m1/s1.
What are the key properties of 2-[[(R)-(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-(cyanomethyl)acetamide?
2-[[(R)-(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-(cyanomethyl)acetamide has a molecular weight of 314.78 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(R)-(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-(cyanomethyl)acetamide is sourced from PubChem (CID 96542751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).