N-carbamoyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide

C10H14N4O2 — CID 81410117

IUPACN-carbamoyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
SMILESC[C@H](NCC(=O)NC(N)=O)c1ccncc1
InChIInChI=1S/C10H14N4O2/c1-7(8-2-4-12-5-3-8)13-6-9(15)14-10(11)16/h2-5,7,13H,6H2,1H3,(H3,11,14,15,16)/t7-/m0/s1
InChIKeyXRDVUGOXVPLGKW-ZETCQYMHSA-N
MW222.25 g/mol
LogP-0.07
Rot. Bonds4

About N-carbamoyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide

N-carbamoyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide (PubChem CID 81410117) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is N-carbamoyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
PubChem CID81410117
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC NameN-carbamoyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
SMILESC[C@H](NCC(=O)NC(N)=O)c1ccncc1
InChIInChI=1S/C10H14N4O2/c1-7(8-2-4-12-5-3-8)13-6-9(15)14-10(11)16/h2-5,7,13H,6H2,1H3,(H3,11,14,15,16)/t7-/m0/s1
InChIKeyXRDVUGOXVPLGKW-ZETCQYMHSA-N
XLogP-0.07
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-pyridin-4-ylethylamino)acetamide
CID 16775752
N-ethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
CID 81409863
N'-hydroxy-2-(1-pyridin-4-ylethylamino)ethanimidamide
CID 77029615
N-pentan-2-yl-2-(1-pyridin-4-ylethylamino)acetamide
CID 60693847
2-[1-(3-acetamidophenyl)ethylamino]-N-carbamoylacetamide
CID 60979755
N,N-dimethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
CID 81405917
N-(4-chlorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide
CID 81410060
N-cyclopentyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
CID 81409773
N-(3-methylphenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide
CID 81409885
N-(2,6-difluorophenyl)-2-(1-pyridin-4-ylethylamino)acetamide
CID 43408879
2-(butan-2-ylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 81409809
N-carbamoyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 81377573

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide?
The IUPAC name of N-carbamoyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide (CID 81410117) is N-carbamoyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide.
What is the SMILES notation for N-carbamoyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide?
The canonical SMILES for N-carbamoyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide is C[C@H](NCC(=O)NC(N)=O)c1ccncc1.
What is the InChIKey of N-carbamoyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide?
The InChIKey is XRDVUGOXVPLGKW-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-7(8-2-4-12-5-3-8)13-6-9(15)14-10(11)16/h2-5,7,13H,6H2,1H3,(H3,11,14,15,16)/t7-/m0/s1.
What are the key properties of N-carbamoyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide?
N-carbamoyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide has a molecular weight of 222.25 g/mol, XLogP of -0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide is sourced from PubChem (CID 81410117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).