ethyl N-[3-[(4-methyl-2-pyridinyl)amino]-3-oxopropyl]carbamate

C12H17N3O3 — CID 46427204

IUPACethyl N-[3-[(4-methyl-2-pyridinyl)amino]-3-oxopropyl]carbamate
SMILESCCOC(=O)NCCC(=O)Nc1cc(C)ccn1
InChIInChI=1S/C12H17N3O3/c1-3-18-12(17)14-7-5-11(16)15-10-8-9(2)4-6-13-10/h4,6,8H,3,5,7H2,1-2H3,(H,14,17)(H,13,15,16)
InChIKeyQKPFAOBIYHICNW-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.46
Rot. Bonds5

About ethyl N-[3-[(4-methyl-2-pyridinyl)amino]-3-oxopropyl]carbamate

ethyl N-[3-[(4-methyl-2-pyridinyl)amino]-3-oxopropyl]carbamate (PubChem CID 46427204) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is ethyl N-[3-[(4-methyl-2-pyridinyl)amino]-3-oxopropyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[(4-methyl-2-pyridinyl)amino]-3-oxopropyl]carbamate
PubChem CID46427204
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Nameethyl N-[3-[(4-methyl-2-pyridinyl)amino]-3-oxopropyl]carbamate
SMILESCCOC(=O)NCCC(=O)Nc1cc(C)ccn1
InChIInChI=1S/C12H17N3O3/c1-3-18-12(17)14-7-5-11(16)15-10-8-9(2)4-6-13-10/h4,6,8H,3,5,7H2,1-2H3,(H,14,17)(H,13,15,16)
InChIKeyQKPFAOBIYHICNW-UHFFFAOYSA-N
XLogP1.46
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]carbamate
CID 47064936
N-(4-methyl-2-pyridinyl)undecanamide
CID 3659858
4-(2,5-dimethylphenyl)-N-(4-methyl-2-pyridinyl)-4-oxobutanamide
CID 24538133
N-[3-[(4-methyl-2-pyridinyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 18106915
6-acetamido-N-(4-methyl-2-pyridinyl)hexanamide
CID 47110680
3-(2,5-dimethylphenoxy)-N-(4-methyl-2-pyridinyl)propanamide
CID 78799816
2-methoxy-N-(4-methyl-2-pyridinyl)acetamide
CID 23657944
4-(4-methylphenoxy)-N-(4-methyl-2-pyridinyl)butanamide
CID 51188569
ethane;1-ethyl-3-(4-methyl-2-pyridinyl)urea
CID 170575881
3,4,5-triethoxy-N-(4-methyl-2-pyridinyl)benzamide
CID 649583
3-amino-N-(4-methyl-2-pyridinyl)butanamide
CID 83618224
ethyl N-(4-bromo-2-pyridinyl)carbamate
CID 102820649

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[(4-methyl-2-pyridinyl)amino]-3-oxopropyl]carbamate?
The IUPAC name of ethyl N-[3-[(4-methyl-2-pyridinyl)amino]-3-oxopropyl]carbamate (CID 46427204) is ethyl N-[3-[(4-methyl-2-pyridinyl)amino]-3-oxopropyl]carbamate.
What is the SMILES notation for ethyl N-[3-[(4-methyl-2-pyridinyl)amino]-3-oxopropyl]carbamate?
The canonical SMILES for ethyl N-[3-[(4-methyl-2-pyridinyl)amino]-3-oxopropyl]carbamate is CCOC(=O)NCCC(=O)Nc1cc(C)ccn1.
What is the InChIKey of ethyl N-[3-[(4-methyl-2-pyridinyl)amino]-3-oxopropyl]carbamate?
The InChIKey is QKPFAOBIYHICNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-3-18-12(17)14-7-5-11(16)15-10-8-9(2)4-6-13-10/h4,6,8H,3,5,7H2,1-2H3,(H,14,17)(H,13,15,16).
What are the key properties of ethyl N-[3-[(4-methyl-2-pyridinyl)amino]-3-oxopropyl]carbamate?
ethyl N-[3-[(4-methyl-2-pyridinyl)amino]-3-oxopropyl]carbamate has a molecular weight of 251.29 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[(4-methyl-2-pyridinyl)amino]-3-oxopropyl]carbamate is sourced from PubChem (CID 46427204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).