2-methyl-N-[3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]propanamide

C18H22N4O2 — CID 87009612

IUPAC2-methyl-N-[3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]propanamide
SMILESCc1cccc(CNC(=O)Nc2cccc(NC(=O)C(C)C)c2)n1
InChIInChI=1S/C18H22N4O2/c1-12(2)17(23)21-14-7-5-8-15(10-14)22-18(24)19-11-16-9-4-6-13(3)20-16/h4-10,12H,11H2,1-3H3,(H,21,23)(H2,19,22,24)
InChIKeyQUERLONFRQJBHA-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.31
Rot. Bonds5

About 2-methyl-N-[3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]propanamide

2-methyl-N-[3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]propanamide (PubChem CID 87009612) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-methyl-N-[3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]propanamide
PubChem CID87009612
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-methyl-N-[3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]propanamide
SMILESCc1cccc(CNC(=O)Nc2cccc(NC(=O)C(C)C)c2)n1
InChIInChI=1S/C18H22N4O2/c1-12(2)17(23)21-14-7-5-8-15(10-14)22-18(24)19-11-16-9-4-6-13(3)20-16/h4-10,12H,11H2,1-3H3,(H,21,23)(H2,19,22,24)
InChIKeyQUERLONFRQJBHA-UHFFFAOYSA-N
XLogP3.31
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 47258349
N-[3-(benzylcarbamoylamino)phenyl]-2-methylpropanamide
CID 38884339
1-[3-(1,3-dithiolan-2-yl)phenyl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 78892698
1-[(6-methyl-2-pyridinyl)methyl]-3-(4-phenylphenyl)urea
CID 87008945
1-(4-methoxyphenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 47258131
ethyl N-[4-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate
CID 87009707
5-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pyridine-3-carboxylic acid
CID 63158193
1-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 48644122
1-(2,3-difluorophenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 47456806
2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 112686238
3-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2-sulfanylbutanamide
CID 107028117
2-amino-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 62307698

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]propanamide (CID 87009612) is 2-methyl-N-[3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]propanamide is Cc1cccc(CNC(=O)Nc2cccc(NC(=O)C(C)C)c2)n1.
What is the InChIKey of 2-methyl-N-[3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]propanamide?
The InChIKey is QUERLONFRQJBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12(2)17(23)21-14-7-5-8-15(10-14)22-18(24)19-11-16-9-4-6-13(3)20-16/h4-10,12H,11H2,1-3H3,(H,21,23)(H2,19,22,24).
What are the key properties of 2-methyl-N-[3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]propanamide?
2-methyl-N-[3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]propanamide has a molecular weight of 326.40 g/mol, XLogP of 3.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]propanamide is sourced from PubChem (CID 87009612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).