2-[[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]carbamoylamino]-N-methylacetamide

C16H17ClN4O3 — CID 60601007

IUPAC2-[[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]carbamoylamino]-N-methylacetamide
SMILESCNC(=O)CNC(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1
InChIInChI=1S/C16H17ClN4O3/c1-18-15(22)9-20-16(23)21-11-5-6-14(13(17)8-11)24-10-12-4-2-3-7-19-12/h2-8H,9-10H2,1H3,(H,18,22)(H2,20,21,23)
InChIKeyRHHIKIPPGMSMKV-UHFFFAOYSA-N
MW348.79 g/mol
LogP2.18
Rot. Bonds6

About 2-[[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]carbamoylamino]-N-methylacetamide

2-[[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]carbamoylamino]-N-methylacetamide (PubChem CID 60601007) has the molecular formula C16H17ClN4O3 and a molecular weight of 348.79 g/mol. Its IUPAC name is 2-[[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]carbamoylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]carbamoylamino]-N-methylacetamide
PubChem CID60601007
Molecular FormulaC16H17ClN4O3
Molecular Weight348.79 g/mol
Exact Mass348.10
IUPAC Name2-[[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]carbamoylamino]-N-methylacetamide
SMILESCNC(=O)CNC(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1
InChIInChI=1S/C16H17ClN4O3/c1-18-15(22)9-20-16(23)21-11-5-6-14(13(17)8-11)24-10-12-4-2-3-7-19-12/h2-8H,9-10H2,1H3,(H,18,22)(H2,20,21,23)
InChIKeyRHHIKIPPGMSMKV-UHFFFAOYSA-N
XLogP2.18
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-phenylethyl)urea
CID 60599188
1-[2-(4-chlorophenoxy)ethyl]-3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]urea
CID 60600852
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 175816662
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119867082
2-acetamido-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-methylbutanamide
CID 86857583
1-[2-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120549686
(2R)-N-(3-chlorophenyl)-2-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]propanamide
CID 52783528
N-(3-chloro-4-methoxyphenyl)-3-pyridin-2-ylpropanamide
CID 47468190
N-[1-[2-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-2-oxoethyl]cyclobutyl]prop-2-enamide
CID 172888497
(Z)-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-cyano-3-ethoxyprop-2-enamide
CID 15603212
(2S,4S)-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120634640
1-[(4-benzylmorpholin-2-yl)methyl]-3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]urea
CID 60600735

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]carbamoylamino]-N-methylacetamide?
The IUPAC name of 2-[[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]carbamoylamino]-N-methylacetamide (CID 60601007) is 2-[[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]carbamoylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]carbamoylamino]-N-methylacetamide?
The canonical SMILES for 2-[[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]carbamoylamino]-N-methylacetamide is CNC(=O)CNC(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1.
What is the InChIKey of 2-[[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]carbamoylamino]-N-methylacetamide?
The InChIKey is RHHIKIPPGMSMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O3/c1-18-15(22)9-20-16(23)21-11-5-6-14(13(17)8-11)24-10-12-4-2-3-7-19-12/h2-8H,9-10H2,1H3,(H,18,22)(H2,20,21,23).
What are the key properties of 2-[[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]carbamoylamino]-N-methylacetamide?
2-[[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]carbamoylamino]-N-methylacetamide has a molecular weight of 348.79 g/mol, XLogP of 2.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]carbamoylamino]-N-methylacetamide is sourced from PubChem (CID 60601007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).