2-(dimethylcarbamoylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide

C12H18N4O2 — CID 125447432

IUPAC2-(dimethylcarbamoylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
SMILESC[C@H](NC(=O)CNC(=O)N(C)C)c1cccnc1
InChIInChI=1S/C12H18N4O2/c1-9(10-5-4-6-13-7-10)15-11(17)8-14-12(18)16(2)3/h4-7,9H,8H2,1-3H3,(H,14,18)(H,15,17)/t9-/m0/s1
InChIKeyJXXYAZWGUUJODK-VIFPVBQESA-N
MW250.30 g/mol
LogP0.53
Rot. Bonds4

About 2-(dimethylcarbamoylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide

2-(dimethylcarbamoylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide (PubChem CID 125447432) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(dimethylcarbamoylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide.

Molecular Properties

Compound Name2-(dimethylcarbamoylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
PubChem CID125447432
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-(dimethylcarbamoylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
SMILESC[C@H](NC(=O)CNC(=O)N(C)C)c1cccnc1
InChIInChI=1S/C12H18N4O2/c1-9(10-5-4-6-13-7-10)15-11(17)8-14-12(18)16(2)3/h4-7,9H,8H2,1-3H3,(H,14,18)(H,15,17)/t9-/m0/s1
InChIKeyJXXYAZWGUUJODK-VIFPVBQESA-N
XLogP0.53
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-oxo-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethyl]pyridine-3-carboxamide
CID 166223531
2-(butan-2-ylamino)-N-(1-pyridin-3-ylethyl)acetamide
CID 60854286
2-(butan-2-ylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81404467
N-(1-pyridin-3-ylethyl)-3-sulfanylpropanamide
CID 107022769
2-cyano-N-(1-pyridin-3-ylethyl)acetamide
CID 43523765
2-(cyclopropylmethylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81404899
5-oxo-5-[[(1S)-1-pyridin-3-ylethyl]amino]pentanoic acid
CID 81407204
2-(4-methylphenyl)-N-(1-pyridin-3-ylethyl)acetamide
CID 18163057
4-amino-3-methyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide
CID 81404984
2-(cyclopentylamino)-N-[(1R)-1-pyridin-3-ylethyl]acetamide
CID 81404213
N-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 18163065
2,4-dichloro-N-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]benzamide
CID 51193025

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylcarbamoylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide?
The IUPAC name of 2-(dimethylcarbamoylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide (CID 125447432) is 2-(dimethylcarbamoylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide.
What is the SMILES notation for 2-(dimethylcarbamoylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide?
The canonical SMILES for 2-(dimethylcarbamoylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide is C[C@H](NC(=O)CNC(=O)N(C)C)c1cccnc1.
What is the InChIKey of 2-(dimethylcarbamoylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide?
The InChIKey is JXXYAZWGUUJODK-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9(10-5-4-6-13-7-10)15-11(17)8-14-12(18)16(2)3/h4-7,9H,8H2,1-3H3,(H,14,18)(H,15,17)/t9-/m0/s1.
What are the key properties of 2-(dimethylcarbamoylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide?
2-(dimethylcarbamoylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide has a molecular weight of 250.30 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylcarbamoylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide is sourced from PubChem (CID 125447432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).