N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(propylamino)pyridine-2-carboxamide

C15H21N5O — CID 106049832

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1cccc(C(=O)NCc2cnn(C)c2C)n1
InChIInChI=1S/C15H21N5O/c1-4-8-16-14-7-5-6-13(19-14)15(21)17-9-12-10-18-20(3)11(12)2/h5-7,10H,4,8-9H2,1-3H3,(H,16,19)(H,17,21)
InChIKeyXHFLABSAKRONFQ-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.88
Rot. Bonds6

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(propylamino)pyridine-2-carboxamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(propylamino)pyridine-2-carboxamide (PubChem CID 106049832) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(propylamino)pyridine-2-carboxamide
PubChem CID106049832
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1cccc(C(=O)NCc2cnn(C)c2C)n1
InChIInChI=1S/C15H21N5O/c1-4-8-16-14-7-5-6-13(19-14)15(21)17-9-12-10-18-20(3)11(12)2/h5-7,10H,4,8-9H2,1-3H3,(H,16,19)(H,17,21)
InChIKeyXHFLABSAKRONFQ-UHFFFAOYSA-N
XLogP1.88
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methyl-4-pyridinyl)methyl]-6-(propylamino)pyridine-2-carboxamide
CID 114701818
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(propylamino)pyridine-2-carboxamide
CID 79231920
N-(1-methylpyrazol-4-yl)-6-(propylamino)pyridine-2-carboxamide
CID 62239806
N-[2-(ethylamino)-2-oxoethyl]-6-(propylamino)pyridine-2-carboxamide
CID 55052141
1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(6-methyl-2-pyridinyl)urea
CID 75523319
N-(3-methyl-2-propan-2-ylbutyl)-6-(propylamino)pyridine-2-carboxamide
CID 102907982
2-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 126835562
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-hydrazinylpyridazine-3-carboxamide
CID 114139707
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(ethylamino)benzamide
CID 106049267
N-propan-2-yl-6-(propylamino)pyridine-2-carboxamide
CID 62240109
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-(propylamino)pyridine-2-carboxamide
CID 63330785
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzamide
CID 106032732

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(propylamino)pyridine-2-carboxamide (CID 106049832) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(propylamino)pyridine-2-carboxamide is CCCNc1cccc(C(=O)NCc2cnn(C)c2C)n1.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(propylamino)pyridine-2-carboxamide?
The InChIKey is XHFLABSAKRONFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-4-8-16-14-7-5-6-13(19-14)15(21)17-9-12-10-18-20(3)11(12)2/h5-7,10H,4,8-9H2,1-3H3,(H,16,19)(H,17,21).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(propylamino)pyridine-2-carboxamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(propylamino)pyridine-2-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 106049832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).