methyl N-[3-amino-4-[4-[(5-chloro-2-pyridinyl)carbamoyl]-2-pyridinyl]phenyl]carbamate

C19H16ClN5O3 — CID 175147104

IUPACmethyl N-[3-amino-4-[4-[(5-chloro-2-pyridinyl)carbamoyl]-2-pyridinyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cn3)ccn2)c(N)c1
InChIInChI=1S/C19H16ClN5O3/c1-28-19(27)24-13-3-4-14(15(21)9-13)16-8-11(6-7-22-16)18(26)25-17-5-2-12(20)10-23-17/h2-10H,21H2,1H3,(H,24,27)(H,23,25,26)
InChIKeyKLMODOQZPRYAGN-UHFFFAOYSA-N
MW397.82 g/mol
LogP3.81
Rot. Bonds4

About methyl N-[3-amino-4-[4-[(5-chloro-2-pyridinyl)carbamoyl]-2-pyridinyl]phenyl]carbamate

methyl N-[3-amino-4-[4-[(5-chloro-2-pyridinyl)carbamoyl]-2-pyridinyl]phenyl]carbamate (PubChem CID 175147104) has the molecular formula C19H16ClN5O3 and a molecular weight of 397.82 g/mol. Its IUPAC name is methyl N-[3-amino-4-[4-[(5-chloro-2-pyridinyl)carbamoyl]-2-pyridinyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-amino-4-[4-[(5-chloro-2-pyridinyl)carbamoyl]-2-pyridinyl]phenyl]carbamate
PubChem CID175147104
Molecular FormulaC19H16ClN5O3
Molecular Weight397.82 g/mol
Exact Mass397.09
IUPAC Namemethyl N-[3-amino-4-[4-[(5-chloro-2-pyridinyl)carbamoyl]-2-pyridinyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cn3)ccn2)c(N)c1
InChIInChI=1S/C19H16ClN5O3/c1-28-19(27)24-13-3-4-14(15(21)9-13)16-8-11(6-7-22-16)18(26)25-17-5-2-12(20)10-23-17/h2-10H,21H2,1H3,(H,24,27)(H,23,25,26)
InChIKeyKLMODOQZPRYAGN-UHFFFAOYSA-N
XLogP3.81
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.82
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl N-[3-(5-bromopentanoylamino)-4-[4-[(5-chloro-2-pyridinyl)carbamoyl]-2-pyridinyl]phenyl]carbamate
CID 175146065
methyl N-[3-amino-4-[4-[(5-chloro-2-pyridinyl)carbamoyl]pyrazol-1-yl]phenyl]carbamate
CID 175358972
3-acetamido-N-(5-chloro-2-pyridinyl)benzamide
CID 13177093
3-benzamido-N-(5-chloro-2-pyridinyl)benzamide
CID 3929829
N-(5-chloro-2-pyridinyl)-3-methoxy-4-methylbenzamide
CID 47122719
N-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 673854
2-amino-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 62154696
methyl N-[4-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]amino]phenyl]carbamate
CID 87033176
methyl N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]carbamate
CID 113012316
2-amino-N-(5-chloro-2-pyridinyl)-4,5-difluorobenzamide
CID 21072646
N-[3-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1H-pyrazole-5-carboxamide
CID 75370264
4-N-(4-chlorophenyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092859

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-amino-4-[4-[(5-chloro-2-pyridinyl)carbamoyl]-2-pyridinyl]phenyl]carbamate?
The IUPAC name of methyl N-[3-amino-4-[4-[(5-chloro-2-pyridinyl)carbamoyl]-2-pyridinyl]phenyl]carbamate (CID 175147104) is methyl N-[3-amino-4-[4-[(5-chloro-2-pyridinyl)carbamoyl]-2-pyridinyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-amino-4-[4-[(5-chloro-2-pyridinyl)carbamoyl]-2-pyridinyl]phenyl]carbamate?
The canonical SMILES for methyl N-[3-amino-4-[4-[(5-chloro-2-pyridinyl)carbamoyl]-2-pyridinyl]phenyl]carbamate is COC(=O)Nc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cn3)ccn2)c(N)c1.
What is the InChIKey of methyl N-[3-amino-4-[4-[(5-chloro-2-pyridinyl)carbamoyl]-2-pyridinyl]phenyl]carbamate?
The InChIKey is KLMODOQZPRYAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O3/c1-28-19(27)24-13-3-4-14(15(21)9-13)16-8-11(6-7-22-16)18(26)25-17-5-2-12(20)10-23-17/h2-10H,21H2,1H3,(H,24,27)(H,23,25,26).
What are the key properties of methyl N-[3-amino-4-[4-[(5-chloro-2-pyridinyl)carbamoyl]-2-pyridinyl]phenyl]carbamate?
methyl N-[3-amino-4-[4-[(5-chloro-2-pyridinyl)carbamoyl]-2-pyridinyl]phenyl]carbamate has a molecular weight of 397.82 g/mol, XLogP of 3.81, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-amino-4-[4-[(5-chloro-2-pyridinyl)carbamoyl]-2-pyridinyl]phenyl]carbamate is sourced from PubChem (CID 175147104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).