6-methyl-N-[5-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide

C22H25N7O3 — CID 154654554

IUPAC6-methyl-N-[5-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cn[nH]c2C(=O)Nc2ccc(OCCN3CCCC3)nc2)cn1
InChIInChI=1S/C22H25N7O3/c1-15-4-5-16(12-23-15)21(30)27-18-14-25-28-20(18)22(31)26-17-6-7-19(24-13-17)32-11-10-29-8-2-3-9-29/h4-7,12-14H,2-3,8-11H2,1H3,(H,25,28)(H,26,31)(H,27,30)
InChIKeyGIHJYTJDXMDKNU-UHFFFAOYSA-N
MW435.49 g/mol
LogP2.49
Rot. Bonds8

About 6-methyl-N-[5-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide

6-methyl-N-[5-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide (PubChem CID 154654554) has the molecular formula C22H25N7O3 and a molecular weight of 435.49 g/mol. Its IUPAC name is 6-methyl-N-[5-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[5-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
PubChem CID154654554
Molecular FormulaC22H25N7O3
Molecular Weight435.49 g/mol
Exact Mass435.20
IUPAC Name6-methyl-N-[5-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cn[nH]c2C(=O)Nc2ccc(OCCN3CCCC3)nc2)cn1
InChIInChI=1S/C22H25N7O3/c1-15-4-5-16(12-23-15)21(30)27-18-14-25-28-20(18)22(31)26-17-6-7-19(24-13-17)32-11-10-29-8-2-3-9-29/h4-7,12-14H,2-3,8-11H2,1H3,(H,25,28)(H,26,31)(H,27,30)
InChIKeyGIHJYTJDXMDKNU-UHFFFAOYSA-N
XLogP2.49
TPSA125.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
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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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[5-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[5-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide (CID 154654554) is 6-methyl-N-[5-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[5-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[5-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide is Cc1ccc(C(=O)Nc2cn[nH]c2C(=O)Nc2ccc(OCCN3CCCC3)nc2)cn1.
What is the InChIKey of 6-methyl-N-[5-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide?
The InChIKey is GIHJYTJDXMDKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O3/c1-15-4-5-16(12-23-15)21(30)27-18-14-25-28-20(18)22(31)26-17-6-7-19(24-13-17)32-11-10-29-8-2-3-9-29/h4-7,12-14H,2-3,8-11H2,1H3,(H,25,28)(H,26,31)(H,27,30).
What are the key properties of 6-methyl-N-[5-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide?
6-methyl-N-[5-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide has a molecular weight of 435.49 g/mol, XLogP of 2.49, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[5-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 154654554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).