methyl N-[4-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]amino]phenyl]carbamate

C16H17ClN4O3 — CID 87033176

IUPACmethyl N-[4-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]amino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC(C)C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C16H17ClN4O3/c1-10(15(22)21-14-8-3-11(17)9-18-14)19-12-4-6-13(7-5-12)20-16(23)24-2/h3-10,19H,1-2H3,(H,20,23)(H,18,21,22)
InChIKeyJHHRCEGFPVGZGP-UHFFFAOYSA-N
MW348.79 g/mol
LogP3.35
Rot. Bonds5

About methyl N-[4-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]amino]phenyl]carbamate

methyl N-[4-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]amino]phenyl]carbamate (PubChem CID 87033176) has the molecular formula C16H17ClN4O3 and a molecular weight of 348.79 g/mol. Its IUPAC name is methyl N-[4-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]amino]phenyl]carbamate
PubChem CID87033176
Molecular FormulaC16H17ClN4O3
Molecular Weight348.79 g/mol
Exact Mass348.10
IUPAC Namemethyl N-[4-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]amino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC(C)C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C16H17ClN4O3/c1-10(15(22)21-14-8-3-11(17)9-18-14)19-12-4-6-13(7-5-12)20-16(23)24-2/h3-10,19H,1-2H3,(H,20,23)(H,18,21,22)
InChIKeyJHHRCEGFPVGZGP-UHFFFAOYSA-N
XLogP3.35
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl N-[4-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]amino]phenyl]carbamate with MolForge

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Related Compounds

(2S)-N-(5-chloro-2-pyridinyl)-2-(4-iodoanilino)propanamide
CID 25381234
(2R)-2-(4-bromo-3-methylanilino)-N-(5-chloro-2-pyridinyl)propanamide
CID 25392276
(2R)-N-(5-chloro-2-pyridinyl)-2-(2-methoxyanilino)propanamide
CID 25381199
(2S)-2-(1,3-benzodioxol-5-ylamino)-N-(5-chloro-2-pyridinyl)propanamide
CID 35994682
(2S)-2-(5-acetamido-2-methoxyanilino)-N-(5-chloro-2-pyridinyl)propanamide
CID 35972098
(2R)-N-(5-chloro-2-pyridinyl)-2-(2-methoxy-5-methylanilino)propanamide
CID 35968819
(2S)-2-amino-N-(5-chloro-2-pyridinyl)propanamide
CID 61146165
ethyl N-[4-[[1-(4-chloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate
CID 60542440
methyl N-[4-[[(2R)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl]amino]phenyl]carbamate
CID 94643027
N-[5-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]amino]-2-methoxyphenyl]-3-fluorobenzamide
CID 60542464
2-amino-N-(5-chloro-2-pyridinyl)-3-methylbutanamide
CID 76892362
N-(5-chloro-2-pyridinyl)-2-methylsulfonylpropanamide
CID 55756646

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]amino]phenyl]carbamate?
The IUPAC name of methyl N-[4-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]amino]phenyl]carbamate (CID 87033176) is methyl N-[4-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]amino]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]amino]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]amino]phenyl]carbamate is COC(=O)Nc1ccc(NC(C)C(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of methyl N-[4-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]amino]phenyl]carbamate?
The InChIKey is JHHRCEGFPVGZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O3/c1-10(15(22)21-14-8-3-11(17)9-18-14)19-12-4-6-13(7-5-12)20-16(23)24-2/h3-10,19H,1-2H3,(H,20,23)(H,18,21,22).
What are the key properties of methyl N-[4-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]amino]phenyl]carbamate?
methyl N-[4-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]amino]phenyl]carbamate has a molecular weight of 348.79 g/mol, XLogP of 3.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]amino]phenyl]carbamate is sourced from PubChem (CID 87033176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).