2-[carbamoyl(methyl)amino]-N-[(S)-(2-methylphenyl)-pyridin-4-ylmethyl]acetamide

C17H20N4O2 — CID 126423419

IUPAC2-[carbamoyl(methyl)amino]-N-[(S)-(2-methylphenyl)-pyridin-4-ylmethyl]acetamide
SMILESCc1ccccc1[C@@H](NC(=O)CN(C)C(N)=O)c1ccncc1
InChIInChI=1S/C17H20N4O2/c1-12-5-3-4-6-14(12)16(13-7-9-19-10-8-13)20-15(22)11-21(2)17(18)23/h3-10,16H,11H2,1-2H3,(H2,18,23)(H,20,22)/t16-/m0/s1
InChIKeyBEPLFSWABRIYOC-INIZCTEOSA-N
MW312.37 g/mol
LogP1.61
Rot. Bonds5

About 2-[carbamoyl(methyl)amino]-N-[(S)-(2-methylphenyl)-pyridin-4-ylmethyl]acetamide

2-[carbamoyl(methyl)amino]-N-[(S)-(2-methylphenyl)-pyridin-4-ylmethyl]acetamide (PubChem CID 126423419) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[carbamoyl(methyl)amino]-N-[(S)-(2-methylphenyl)-pyridin-4-ylmethyl]acetamide.

Molecular Properties

Compound Name2-[carbamoyl(methyl)amino]-N-[(S)-(2-methylphenyl)-pyridin-4-ylmethyl]acetamide
PubChem CID126423419
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-[carbamoyl(methyl)amino]-N-[(S)-(2-methylphenyl)-pyridin-4-ylmethyl]acetamide
SMILESCc1ccccc1[C@@H](NC(=O)CN(C)C(N)=O)c1ccncc1
InChIInChI=1S/C17H20N4O2/c1-12-5-3-4-6-14(12)16(13-7-9-19-10-8-13)20-15(22)11-21(2)17(18)23/h3-10,16H,11H2,1-2H3,(H2,18,23)(H,20,22)/t16-/m0/s1
InChIKeyBEPLFSWABRIYOC-INIZCTEOSA-N
XLogP1.61
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-(2-methylphenyl)-phenylmethyl]-2-pyridin-4-ylacetamide
CID 95228803
N-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 118789936
5-acetamido-2-chloro-N-[(2-methylphenyl)-pyridin-4-ylmethyl]benzamide
CID 50976747
N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 125176787
3-methoxy-2,2-dimethyl-N-[(2-methylphenyl)-pyridin-4-ylmethyl]propanamide
CID 118784920
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2-methylphenyl)-pyridin-4-ylmethyl]acetamide
CID 77095713
[(R)-(2-methylphenyl)-phenylmethyl]urea
CID 870913
1-methyl-3-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-1-(3-morpholin-4-ylpropyl)urea
CID 126436882
N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-3-(2-oxoazepan-1-yl)propanamide
CID 125165780
1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]urea
CID 126448565
4-(hydroxymethyl)-N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]pyridine-2-carboxamide
CID 99947108
2-[benzyl(methylsulfonyl)amino]-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 133184536

Frequently Asked Questions

What is the IUPAC name of 2-[carbamoyl(methyl)amino]-N-[(S)-(2-methylphenyl)-pyridin-4-ylmethyl]acetamide?
The IUPAC name of 2-[carbamoyl(methyl)amino]-N-[(S)-(2-methylphenyl)-pyridin-4-ylmethyl]acetamide (CID 126423419) is 2-[carbamoyl(methyl)amino]-N-[(S)-(2-methylphenyl)-pyridin-4-ylmethyl]acetamide.
What is the SMILES notation for 2-[carbamoyl(methyl)amino]-N-[(S)-(2-methylphenyl)-pyridin-4-ylmethyl]acetamide?
The canonical SMILES for 2-[carbamoyl(methyl)amino]-N-[(S)-(2-methylphenyl)-pyridin-4-ylmethyl]acetamide is Cc1ccccc1[C@@H](NC(=O)CN(C)C(N)=O)c1ccncc1.
What is the InChIKey of 2-[carbamoyl(methyl)amino]-N-[(S)-(2-methylphenyl)-pyridin-4-ylmethyl]acetamide?
The InChIKey is BEPLFSWABRIYOC-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12-5-3-4-6-14(12)16(13-7-9-19-10-8-13)20-15(22)11-21(2)17(18)23/h3-10,16H,11H2,1-2H3,(H2,18,23)(H,20,22)/t16-/m0/s1.
What are the key properties of 2-[carbamoyl(methyl)amino]-N-[(S)-(2-methylphenyl)-pyridin-4-ylmethyl]acetamide?
2-[carbamoyl(methyl)amino]-N-[(S)-(2-methylphenyl)-pyridin-4-ylmethyl]acetamide has a molecular weight of 312.37 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carbamoyl(methyl)amino]-N-[(S)-(2-methylphenyl)-pyridin-4-ylmethyl]acetamide is sourced from PubChem (CID 126423419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).