3-[(4-methoxyphenyl)carbamoylamino]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide

C18H22N4O4 — CID 46598865

IUPAC3-[(4-methoxyphenyl)carbamoylamino]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
SMILESCOc1ccc(NC(=O)NCCC(=O)NCc2cccnc2OC)cc1
InChIInChI=1S/C18H22N4O4/c1-25-15-7-5-14(6-8-15)22-18(24)20-11-9-16(23)21-12-13-4-3-10-19-17(13)26-2/h3-8,10H,9,11-12H2,1-2H3,(H,21,23)(H2,20,22,24)
InChIKeyLUYNBPDYYDYPJW-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.93
Rot. Bonds8

About 3-[(4-methoxyphenyl)carbamoylamino]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide

3-[(4-methoxyphenyl)carbamoylamino]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide (PubChem CID 46598865) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)carbamoylamino]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)carbamoylamino]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
PubChem CID46598865
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name3-[(4-methoxyphenyl)carbamoylamino]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
SMILESCOc1ccc(NC(=O)NCCC(=O)NCc2cccnc2OC)cc1
InChIInChI=1S/C18H22N4O4/c1-25-15-7-5-14(6-8-15)22-18(24)20-11-9-16(23)21-12-13-4-3-10-19-17(13)26-2/h3-8,10H,9,11-12H2,1-2H3,(H,21,23)(H2,20,22,24)
InChIKeyLUYNBPDYYDYPJW-UHFFFAOYSA-N
XLogP1.93
TPSA101.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-methoxyphenyl)methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea
CID 53184866
4-hydroxy-N-[(2-methoxy-3-pyridinyl)methyl]butanamide
CID 79204552
2-(2,4-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
CID 37485782
3-(2-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 38534369
3-(2-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 38535689
1-[(2-methoxy-3-pyridinyl)methyl]-3-(3-methylbutyl)urea
CID 47164188
1-[(2-methoxy-3-pyridinyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 86987743
1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)urea
CID 6469547
N-[2-[(2-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]-2-phenylacetamide
CID 37486176
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 55659908
2-(2,6-dimethylphenoxy)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
CID 37486076
N-cyclopropyl-3-[(2-methoxy-3-pyridinyl)methylamino]propanamide
CID 62627188

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)carbamoylamino]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide?
The IUPAC name of 3-[(4-methoxyphenyl)carbamoylamino]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide (CID 46598865) is 3-[(4-methoxyphenyl)carbamoylamino]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)carbamoylamino]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide?
The canonical SMILES for 3-[(4-methoxyphenyl)carbamoylamino]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide is COc1ccc(NC(=O)NCCC(=O)NCc2cccnc2OC)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)carbamoylamino]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide?
The InChIKey is LUYNBPDYYDYPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-25-15-7-5-14(6-8-15)22-18(24)20-11-9-16(23)21-12-13-4-3-10-19-17(13)26-2/h3-8,10H,9,11-12H2,1-2H3,(H,21,23)(H2,20,22,24).
What are the key properties of 3-[(4-methoxyphenyl)carbamoylamino]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide?
3-[(4-methoxyphenyl)carbamoylamino]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide has a molecular weight of 358.40 g/mol, XLogP of 1.93, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)carbamoylamino]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 46598865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).