5-methyl-N-[5-[[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide

C22H25N7O3 — CID 154654304

IUPAC5-methyl-N-[5-[[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
SMILESCc1cncc(C(=O)Nc2cn[nH]c2C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)c1
InChIInChI=1S/C22H25N7O3/c1-14-9-15(11-23-10-14)21(30)27-18-13-25-28-20(18)22(31)26-16-3-4-19(24-12-16)32-17-5-7-29(2)8-6-17/h3-4,9-13,17H,5-8H2,1-2H3,(H,25,28)(H,26,31)(H,27,30)
InChIKeyZHMRDZYBCNXSRC-UHFFFAOYSA-N
MW435.49 g/mol
LogP2.49
Rot. Bonds6

About 5-methyl-N-[5-[[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide

5-methyl-N-[5-[[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide (PubChem CID 154654304) has the molecular formula C22H25N7O3 and a molecular weight of 435.49 g/mol. Its IUPAC name is 5-methyl-N-[5-[[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[5-[[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
PubChem CID154654304
Molecular FormulaC22H25N7O3
Molecular Weight435.49 g/mol
Exact Mass435.20
IUPAC Name5-methyl-N-[5-[[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
SMILESCc1cncc(C(=O)Nc2cn[nH]c2C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)c1
InChIInChI=1S/C22H25N7O3/c1-14-9-15(11-23-10-14)21(30)27-18-13-25-28-20(18)22(31)26-16-3-4-19(24-12-16)32-17-5-7-29(2)8-6-17/h3-4,9-13,17H,5-8H2,1-2H3,(H,25,28)(H,26,31)(H,27,30)
InChIKeyZHMRDZYBCNXSRC-UHFFFAOYSA-N
XLogP2.49
TPSA125.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 154654222
N-[5-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
CID 154998711
N-[5-[[6-(diethylamino)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]-5-methoxypyridine-3-carboxamide
CID 155010090
5-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 143173797
4-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 141493476
N-[5-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
CID 154654515
N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
CID 154654345
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinoxaline-6-carboxamide
CID 131913221
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(1-methylpiperidin-4-yl)oxyphenyl]-3-methylbenzamide
CID 66928508
3,5-dichloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 171152518
1-cyclopropyl-N-(6-methoxy-3-pyridinyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 36769260
6-cyclopentyloxy-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-3-carboxamide
CID 122298313

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[5-[[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide?
The IUPAC name of 5-methyl-N-[5-[[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide (CID 154654304) is 5-methyl-N-[5-[[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[5-[[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-methyl-N-[5-[[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide is Cc1cncc(C(=O)Nc2cn[nH]c2C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)c1.
What is the InChIKey of 5-methyl-N-[5-[[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide?
The InChIKey is ZHMRDZYBCNXSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O3/c1-14-9-15(11-23-10-14)21(30)27-18-13-25-28-20(18)22(31)26-16-3-4-19(24-12-16)32-17-5-7-29(2)8-6-17/h3-4,9-13,17H,5-8H2,1-2H3,(H,25,28)(H,26,31)(H,27,30).
What are the key properties of 5-methyl-N-[5-[[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide?
5-methyl-N-[5-[[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide has a molecular weight of 435.49 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[5-[[6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 154654304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).