N-carbamoyl-2-(2-pyridin-3-ylethylamino)propanamide

C11H16N4O2 — CID 60914787

IUPACN-carbamoyl-2-(2-pyridin-3-ylethylamino)propanamide
SMILESCC(NCCc1cccnc1)C(=O)NC(N)=O
InChIInChI=1S/C11H16N4O2/c1-8(10(16)15-11(12)17)14-6-4-9-3-2-5-13-7-9/h2-3,5,7-8,14H,4,6H2,1H3,(H3,12,15,16,17)
InChIKeyPDRLBKVNCHTHFI-UHFFFAOYSA-N
MW236.28 g/mol
LogP-0.20
Rot. Bonds5

About N-carbamoyl-2-(2-pyridin-3-ylethylamino)propanamide

N-carbamoyl-2-(2-pyridin-3-ylethylamino)propanamide (PubChem CID 60914787) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is N-carbamoyl-2-(2-pyridin-3-ylethylamino)propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-(2-pyridin-3-ylethylamino)propanamide
PubChem CID60914787
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC NameN-carbamoyl-2-(2-pyridin-3-ylethylamino)propanamide
SMILESCC(NCCc1cccnc1)C(=O)NC(N)=O
InChIInChI=1S/C11H16N4O2/c1-8(10(16)15-11(12)17)14-6-4-9-3-2-5-13-7-9/h2-3,5,7-8,14H,4,6H2,1H3,(H3,12,15,16,17)
InChIKeyPDRLBKVNCHTHFI-UHFFFAOYSA-N
XLogP-0.20
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(2-pyridin-3-ylethylamino)propanamide
CID 60912739
N-pentan-3-yl-2-(2-pyridin-3-ylethylamino)propanamide
CID 60913079
N-ethyl-N-methyl-2-(2-pyridin-3-ylethylamino)propanamide
CID 103108441
N-carbamoyl-2-(2-pyridin-3-ylethylamino)acetamide
CID 60913081
2-amino-4-methyl-N-(2-pyridin-3-ylethyl)pentanamide
CID 60913916
methyl (2S)-2-(pyridin-3-ylmethylamino)propanoate
CID 43723601
(2R)-2-amino-2-phenyl-N-(2-pyridin-3-ylethyl)acetamide
CID 61177946
4-pyridin-3-ylbutan-2-ylcarbamic acid
CID 146273639
4-amino-3-methyl-N-(2-pyridin-3-ylethyl)butanamide
CID 81075299
2-methyl-4-pyridin-3-ylbutanoic acid
CID 79004008
N',N',N",N"-tetramethyl-N-(2-pyridin-3-ylethyl)methanetriamine
CID 69260242
(3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate
CID 174405332

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(2-pyridin-3-ylethylamino)propanamide?
The IUPAC name of N-carbamoyl-2-(2-pyridin-3-ylethylamino)propanamide (CID 60914787) is N-carbamoyl-2-(2-pyridin-3-ylethylamino)propanamide.
What is the SMILES notation for N-carbamoyl-2-(2-pyridin-3-ylethylamino)propanamide?
The canonical SMILES for N-carbamoyl-2-(2-pyridin-3-ylethylamino)propanamide is CC(NCCc1cccnc1)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-(2-pyridin-3-ylethylamino)propanamide?
The InChIKey is PDRLBKVNCHTHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-8(10(16)15-11(12)17)14-6-4-9-3-2-5-13-7-9/h2-3,5,7-8,14H,4,6H2,1H3,(H3,12,15,16,17).
What are the key properties of N-carbamoyl-2-(2-pyridin-3-ylethylamino)propanamide?
N-carbamoyl-2-(2-pyridin-3-ylethylamino)propanamide has a molecular weight of 236.28 g/mol, XLogP of -0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(2-pyridin-3-ylethylamino)propanamide is sourced from PubChem (CID 60914787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).