2-N-[[1-(5-amino-3-pyridinyl)pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide

C19H21N7O2 — CID 70303037

IUPAC2-N-[[1-(5-amino-3-pyridinyl)pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
SMILESCC(C)NC(=O)c1cccc(C(=O)NCc2cnn(-c3cncc(N)c3)c2)n1
InChIInChI=1S/C19H21N7O2/c1-12(2)24-19(28)17-5-3-4-16(25-17)18(27)22-7-13-8-23-26(11-13)15-6-14(20)9-21-10-15/h3-6,8-12H,7,20H2,1-2H3,(H,22,27)(H,24,28)
InChIKeyIFCLCLXATJCYOW-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.31
Rot. Bonds6

About 2-N-[[1-(5-amino-3-pyridinyl)pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide

2-N-[[1-(5-amino-3-pyridinyl)pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide (PubChem CID 70303037) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-N-[[1-(5-amino-3-pyridinyl)pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-[[1-(5-amino-3-pyridinyl)pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
PubChem CID70303037
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Name2-N-[[1-(5-amino-3-pyridinyl)pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
SMILESCC(C)NC(=O)c1cccc(C(=O)NCc2cnn(-c3cncc(N)c3)c2)n1
InChIInChI=1S/C19H21N7O2/c1-12(2)24-19(28)17-5-3-4-16(25-17)18(27)22-7-13-8-23-26(11-13)15-6-14(20)9-21-10-15/h3-6,8-12H,7,20H2,1-2H3,(H,22,27)(H,24,28)
InChIKeyIFCLCLXATJCYOW-UHFFFAOYSA-N
XLogP1.31
TPSA127.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-N-[[1-(5-amino-3-pyridinyl)pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide with MolForge

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Related Compounds

2-N-[[1-[4-(aminomethyl)phenyl]pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 59406350
2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide
CID 39058604
2-N-[[1-[3-chloro-4-(dimethylsulfamoyl)phenyl]pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 59406318
2-N-[[3-(3-aminophenyl)phenyl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 70304756
2-N-[[6-(3-aminophenyl)-3-pyridinyl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 70300494
2-N-[(4-fluorophenyl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093645
methyl N-[6-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methylcarbamoyl]-2-pyridinyl]carbamate
CID 59406385
2-N-[(5-methylpyrazin-2-yl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 25023988
2-N-[(2-chlorophenyl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093646
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2-pyrrol-1-ylpropanamide
CID 131945038
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-benzofuran-2-carboxamide
CID 86968691
6-N-propan-2-yl-2-N-(1,3-thiazol-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 25024354

Frequently Asked Questions

What is the IUPAC name of 2-N-[[1-(5-amino-3-pyridinyl)pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-[[1-(5-amino-3-pyridinyl)pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide (CID 70303037) is 2-N-[[1-(5-amino-3-pyridinyl)pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-[[1-(5-amino-3-pyridinyl)pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-[[1-(5-amino-3-pyridinyl)pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide is CC(C)NC(=O)c1cccc(C(=O)NCc2cnn(-c3cncc(N)c3)c2)n1.
What is the InChIKey of 2-N-[[1-(5-amino-3-pyridinyl)pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide?
The InChIKey is IFCLCLXATJCYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c1-12(2)24-19(28)17-5-3-4-16(25-17)18(27)22-7-13-8-23-26(11-13)15-6-14(20)9-21-10-15/h3-6,8-12H,7,20H2,1-2H3,(H,22,27)(H,24,28).
What are the key properties of 2-N-[[1-(5-amino-3-pyridinyl)pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide?
2-N-[[1-(5-amino-3-pyridinyl)pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide has a molecular weight of 379.42 g/mol, XLogP of 1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[1-(5-amino-3-pyridinyl)pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide is sourced from PubChem (CID 70303037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).