N-[3-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide

C13H10Cl2N4O2 — CID 114917801

IUPACN-[3-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide
SMILESNC(=O)Nc1cccc(NC(=O)c2cc(Cl)ncc2Cl)c1
InChIInChI=1S/C13H10Cl2N4O2/c14-10-6-17-11(15)5-9(10)12(20)18-7-2-1-3-8(4-7)19-13(16)21/h1-6H,(H,18,20)(H3,16,19,21)
InChIKeyNUGBMLWQVIHWES-UHFFFAOYSA-N
MW325.16 g/mol
LogP3.13
Rot. Bonds3

About N-[3-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide

N-[3-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide (PubChem CID 114917801) has the molecular formula C13H10Cl2N4O2 and a molecular weight of 325.16 g/mol. Its IUPAC name is N-[3-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide
PubChem CID114917801
Molecular FormulaC13H10Cl2N4O2
Molecular Weight325.16 g/mol
Exact Mass324.02
IUPAC NameN-[3-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide
SMILESNC(=O)Nc1cccc(NC(=O)c2cc(Cl)ncc2Cl)c1
InChIInChI=1S/C13H10Cl2N4O2/c14-10-6-17-11(15)5-9(10)12(20)18-7-2-1-3-8(4-7)19-13(16)21/h1-6H,(H,18,20)(H3,16,19,21)
InChIKeyNUGBMLWQVIHWES-UHFFFAOYSA-N
XLogP3.13
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.16
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[4-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide
CID 114917802
2,5-dichloro-N-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 114917538
2-chloro-5-[(2,5-dichloropyridine-4-carbonyl)amino]benzoic acid
CID 114917869
2,5-dichloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-4-carboxamide
CID 114917751
N-[3-(carbamoylamino)phenyl]-6-chloropyridine-2-carboxamide
CID 62234924
2,5-dichloro-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 114917530
2,5-dichloro-N-(2,3-dihydro-1-benzofuran-5-yl)pyridine-4-carboxamide
CID 114917851
[3-(chloroamino)phenyl]urea
CID 155328094
2,5-dichloro-N-(3-chloro-2-pyridinyl)pyridine-4-carboxamide
CID 102610397
2-amino-N-[3-(carbamoylamino)phenyl]-4-chlorobenzamide
CID 62058536
N-(3-carbamoylthiophen-2-yl)-2,5-dichloropyridine-4-carboxamide
CID 114917686
2,5-dichloro-N-(6-methoxy-3-pyridinyl)pyridine-4-carboxamide
CID 114917038

Frequently Asked Questions

What is the IUPAC name of N-[3-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide?
The IUPAC name of N-[3-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide (CID 114917801) is N-[3-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide.
What is the SMILES notation for N-[3-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide?
The canonical SMILES for N-[3-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide is NC(=O)Nc1cccc(NC(=O)c2cc(Cl)ncc2Cl)c1.
What is the InChIKey of N-[3-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide?
The InChIKey is NUGBMLWQVIHWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4O2/c14-10-6-17-11(15)5-9(10)12(20)18-7-2-1-3-8(4-7)19-13(16)21/h1-6H,(H,18,20)(H3,16,19,21).
What are the key properties of N-[3-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide?
N-[3-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide has a molecular weight of 325.16 g/mol, XLogP of 3.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide is sourced from PubChem (CID 114917801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).