2-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-4-carboxamide

C14H18ClN5O — CID 79036395

IUPAC2-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCc2c(C)nn(C)c2C)cc(Cl)n1
InChIInChI=1S/C14H18ClN5O/c1-8-11(9(2)20(4)19-8)7-17-14(21)10-5-12(15)18-13(6-10)16-3/h5-6H,7H2,1-4H3,(H,16,18)(H,17,21)
InChIKeyYTMJTFCMFREMQO-UHFFFAOYSA-N
MW307.79 g/mol
LogP2.06
Rot. Bonds4

About 2-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-4-carboxamide

2-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-4-carboxamide (PubChem CID 79036395) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is 2-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-4-carboxamide
PubChem CID79036395
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC Name2-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCc2c(C)nn(C)c2C)cc(Cl)n1
InChIInChI=1S/C14H18ClN5O/c1-8-11(9(2)20(4)19-8)7-17-14(21)10-5-12(15)18-13(6-10)16-3/h5-6H,7H2,1-4H3,(H,16,18)(H,17,21)
InChIKeyYTMJTFCMFREMQO-UHFFFAOYSA-N
XLogP2.06
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 79237744
3-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 79231418
3,5-dimethoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 19282242
2-chloro-N-(furan-3-ylmethyl)-6-(methylamino)pyridine-4-carboxamide
CID 113234494
4-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 79036409
methyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate
CID 110731133
5-hydroxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 79038700
5-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-3-carboxamide
CID 79036410
2-chloro-6-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 114701806
4-(dimethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 110444483
2-chloro-6-(methylamino)-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide
CID 62178675
4-amino-3-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 104783069

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-4-carboxamide (CID 79036395) is 2-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-4-carboxamide is CNc1cc(C(=O)NCc2c(C)nn(C)c2C)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-4-carboxamide?
The InChIKey is YTMJTFCMFREMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/c1-8-11(9(2)20(4)19-8)7-17-14(21)10-5-12(15)18-13(6-10)16-3/h5-6H,7H2,1-4H3,(H,16,18)(H,17,21).
What are the key properties of 2-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-4-carboxamide?
2-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-4-carboxamide has a molecular weight of 307.79 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 79036395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).