N-carbamoyl-2-[(3-methyl-2-pyridinyl)methylamino]propanamide

C11H16N4O2 — CID 63306295

IUPACN-carbamoyl-2-[(3-methyl-2-pyridinyl)methylamino]propanamide
SMILESCc1cccnc1CNC(C)C(=O)NC(N)=O
InChIInChI=1S/C11H16N4O2/c1-7-4-3-5-13-9(7)6-14-8(2)10(16)15-11(12)17/h3-5,8,14H,6H2,1-2H3,(H3,12,15,16,17)
InChIKeyFBPIDCSEYIFJDF-UHFFFAOYSA-N
MW236.28 g/mol
LogP0.06
Rot. Bonds4

About N-carbamoyl-2-[(3-methyl-2-pyridinyl)methylamino]propanamide

N-carbamoyl-2-[(3-methyl-2-pyridinyl)methylamino]propanamide (PubChem CID 63306295) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is N-carbamoyl-2-[(3-methyl-2-pyridinyl)methylamino]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[(3-methyl-2-pyridinyl)methylamino]propanamide
PubChem CID63306295
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC NameN-carbamoyl-2-[(3-methyl-2-pyridinyl)methylamino]propanamide
SMILESCc1cccnc1CNC(C)C(=O)NC(N)=O
InChIInChI=1S/C11H16N4O2/c1-7-4-3-5-13-9(7)6-14-8(2)10(16)15-11(12)17/h3-5,8,14H,6H2,1-2H3,(H3,12,15,16,17)
InChIKeyFBPIDCSEYIFJDF-UHFFFAOYSA-N
XLogP0.06
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(3-methyl-2-pyridinyl)methylamino]propanoate
CID 63305760
2-[(3-methyl-2-pyridinyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115614108
N-butyl-2-[(3-methyl-2-pyridinyl)methylamino]propanamide
CID 63306339
2-amino-N-[(3-methyl-2-pyridinyl)methyl]propanamide
CID 63306534
methyl 2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butanoate
CID 79397097
N-(ethylcarbamoyl)-2-[(3-ethyl-2-pyridinyl)methylamino]propanamide
CID 82738463
3-methyl-2-[(3-methyl-2-pyridinyl)methylamino]butan-1-ol
CID 112650240
2-amino-N-[(3-methyl-2-pyridinyl)methyl]butanediamide
CID 63306615
1-cyclopropyl-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 63305633
2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butan-2-ol
CID 65337637
(2S,3S)-2-amino-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]pentanamide
CID 63306281
2-amino-3,3-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide
CID 76989507

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[(3-methyl-2-pyridinyl)methylamino]propanamide?
The IUPAC name of N-carbamoyl-2-[(3-methyl-2-pyridinyl)methylamino]propanamide (CID 63306295) is N-carbamoyl-2-[(3-methyl-2-pyridinyl)methylamino]propanamide.
What is the SMILES notation for N-carbamoyl-2-[(3-methyl-2-pyridinyl)methylamino]propanamide?
The canonical SMILES for N-carbamoyl-2-[(3-methyl-2-pyridinyl)methylamino]propanamide is Cc1cccnc1CNC(C)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[(3-methyl-2-pyridinyl)methylamino]propanamide?
The InChIKey is FBPIDCSEYIFJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-7-4-3-5-13-9(7)6-14-8(2)10(16)15-11(12)17/h3-5,8,14H,6H2,1-2H3,(H3,12,15,16,17).
What are the key properties of N-carbamoyl-2-[(3-methyl-2-pyridinyl)methylamino]propanamide?
N-carbamoyl-2-[(3-methyl-2-pyridinyl)methylamino]propanamide has a molecular weight of 236.28 g/mol, XLogP of 0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[(3-methyl-2-pyridinyl)methylamino]propanamide is sourced from PubChem (CID 63306295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).