5-chloro-6-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide

C12H14ClN5O — CID 106218044

IUPAC5-chloro-6-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)NC(C)c2cn[nH]c2)cc1Cl
InChIInChI=1S/C12H14ClN5O/c1-7(9-5-16-17-6-9)18-12(19)8-3-10(13)11(14-2)15-4-8/h3-7H,1-2H3,(H,14,15)(H,16,17)(H,18,19)
InChIKeyKKUYVDVNVXGHRV-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.99
Rot. Bonds4

About 5-chloro-6-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide

5-chloro-6-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide (PubChem CID 106218044) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 5-chloro-6-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide
PubChem CID106218044
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name5-chloro-6-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)NC(C)c2cn[nH]c2)cc1Cl
InChIInChI=1S/C12H14ClN5O/c1-7(9-5-16-17-6-9)18-12(19)8-3-10(13)11(14-2)15-4-8/h3-7H,1-2H3,(H,14,15)(H,16,17)(H,18,19)
InChIKeyKKUYVDVNVXGHRV-UHFFFAOYSA-N
XLogP1.99
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-1-oxopropan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
CID 62170242
5-chloro-N-[1-(3-fluorophenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 62174665
5-chloro-6-(methylamino)-N-[1-(2-methylphenyl)ethyl]pyridine-3-carboxamide
CID 62176085
5-chloro-6-(methylamino)-N-pentan-2-ylpyridine-3-carboxamide
CID 62186092
4-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106218102
N-(1-amino-3-methyl-1-oxobutan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
CID 106347150
4,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 103856316
3,4-dichloro-5-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106211219
2,6-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856631
5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 113339663
5,6-dichloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 47162672
5-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(methylamino)pyridine-3-carboxamide
CID 55046864

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide (CID 106218044) is 5-chloro-6-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide is CNc1ncc(C(=O)NC(C)c2cn[nH]c2)cc1Cl.
What is the InChIKey of 5-chloro-6-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is KKUYVDVNVXGHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-7(9-5-16-17-6-9)18-12(19)8-3-10(13)11(14-2)15-4-8/h3-7H,1-2H3,(H,14,15)(H,16,17)(H,18,19).
What are the key properties of 5-chloro-6-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide?
5-chloro-6-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 279.73 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 106218044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).