N-(3,6-dichloro-2-pyridinyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide

C16H13Cl2N5O — CID 99695727

IUPACN-(3,6-dichloro-2-pyridinyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3nc(Cl)ccc3Cl)cn2)n1
InChIInChI=1S/C16H13Cl2N5O/c1-9-7-10(2)23(22-9)14-6-3-11(8-19-14)16(24)21-15-12(17)4-5-13(18)20-15/h3-8H,1-2H3,(H,20,21,24)
InChIKeyGFIGZQDASWSVSQ-UHFFFAOYSA-N
MW362.22 g/mol
LogP3.84
Rot. Bonds3

About N-(3,6-dichloro-2-pyridinyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide

N-(3,6-dichloro-2-pyridinyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide (PubChem CID 99695727) has the molecular formula C16H13Cl2N5O and a molecular weight of 362.22 g/mol. Its IUPAC name is N-(3,6-dichloro-2-pyridinyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,6-dichloro-2-pyridinyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
PubChem CID99695727
Molecular FormulaC16H13Cl2N5O
Molecular Weight362.22 g/mol
Exact Mass361.05
IUPAC NameN-(3,6-dichloro-2-pyridinyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3nc(Cl)ccc3Cl)cn2)n1
InChIInChI=1S/C16H13Cl2N5O/c1-9-7-10(2)23(22-9)14-6-3-11(8-19-14)16(24)21-15-12(17)4-5-13(18)20-15/h3-8H,1-2H3,(H,20,21,24)
InChIKeyGFIGZQDASWSVSQ-UHFFFAOYSA-N
XLogP3.84
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(3,5-dimethylpyrazol-1-yl)-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 166228864
3,5-dichloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]benzamide
CID 31923949
6-(3,5-dimethylpyrazol-1-yl)-N-(6-methoxy-2-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 71919216
6-(3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 38024335
6-(3,5-dimethylpyrazol-1-yl)-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 166281433
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(methylamino)propyl]pyridine-3-carboxamide
CID 120827441
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(ethylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 86980602
(2,4-dichlorophenyl) 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55667631
6-(3,5-dimethylpyrazol-1-yl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]pyridine-3-carboxamide
CID 55668204
6-(3,5-dimethylpyrazol-1-yl)-N-(oxan-4-yl)pyridine-3-carboxamide
CID 110091031
6-(3,5-dimethylpyrazol-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 55645835
5-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide
CID 31908021

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dichloro-2-pyridinyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(3,6-dichloro-2-pyridinyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide (CID 99695727) is N-(3,6-dichloro-2-pyridinyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3,6-dichloro-2-pyridinyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(3,6-dichloro-2-pyridinyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide is Cc1cc(C)n(-c2ccc(C(=O)Nc3nc(Cl)ccc3Cl)cn2)n1.
What is the InChIKey of N-(3,6-dichloro-2-pyridinyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide?
The InChIKey is GFIGZQDASWSVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N5O/c1-9-7-10(2)23(22-9)14-6-3-11(8-19-14)16(24)21-15-12(17)4-5-13(18)20-15/h3-8H,1-2H3,(H,20,21,24).
What are the key properties of N-(3,6-dichloro-2-pyridinyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide?
N-(3,6-dichloro-2-pyridinyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide has a molecular weight of 362.22 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dichloro-2-pyridinyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 99695727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).