N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(oxan-4-ylamino)-3-pyridinyl]pyridine-2-carboxamide

C25H25N7O2 — CID 134450215

IUPACN-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(oxan-4-ylamino)-3-pyridinyl]pyridine-2-carboxamide
SMILESCn1cc(NC(=O)c2cccc(-c3cncc(NC4CCOCC4)c3)n2)c(-c2ccccn2)n1
InChIInChI=1S/C25H25N7O2/c1-32-16-23(24(31-32)21-5-2-3-10-27-21)30-25(33)22-7-4-6-20(29-22)17-13-19(15-26-14-17)28-18-8-11-34-12-9-18/h2-7,10,13-16,18,28H,8-9,11-12H2,1H3,(H,30,33)
InChIKeyKRRSTIHOJJTDKU-UHFFFAOYSA-N
MW455.52 g/mol
LogP3.78
Rot. Bonds6

About N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(oxan-4-ylamino)-3-pyridinyl]pyridine-2-carboxamide

N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(oxan-4-ylamino)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 134450215) has the molecular formula C25H25N7O2 and a molecular weight of 455.52 g/mol. Its IUPAC name is N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(oxan-4-ylamino)-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(oxan-4-ylamino)-3-pyridinyl]pyridine-2-carboxamide
PubChem CID134450215
Molecular FormulaC25H25N7O2
Molecular Weight455.52 g/mol
Exact Mass455.21
IUPAC NameN-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(oxan-4-ylamino)-3-pyridinyl]pyridine-2-carboxamide
SMILESCn1cc(NC(=O)c2cccc(-c3cncc(NC4CCOCC4)c3)n2)c(-c2ccccn2)n1
InChIInChI=1S/C25H25N7O2/c1-32-16-23(24(31-32)21-5-2-3-10-27-21)30-25(33)22-7-4-6-20(29-22)17-13-19(15-26-14-17)28-18-8-11-34-12-9-18/h2-7,10,13-16,18,28H,8-9,11-12H2,1H3,(H,30,33)
InChIKeyKRRSTIHOJJTDKU-UHFFFAOYSA-N
XLogP3.78
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(oxan-4-ylamino)-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(oxan-4-ylamino)-3-pyridinyl]pyridine-2-carboxamide (CID 134450215) is N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(oxan-4-ylamino)-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(oxan-4-ylamino)-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(oxan-4-ylamino)-3-pyridinyl]pyridine-2-carboxamide is Cn1cc(NC(=O)c2cccc(-c3cncc(NC4CCOCC4)c3)n2)c(-c2ccccn2)n1.
What is the InChIKey of N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(oxan-4-ylamino)-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is KRRSTIHOJJTDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2/c1-32-16-23(24(31-32)21-5-2-3-10-27-21)30-25(33)22-7-4-6-20(29-22)17-13-19(15-26-14-17)28-18-8-11-34-12-9-18/h2-7,10,13-16,18,28H,8-9,11-12H2,1H3,(H,30,33).
What are the key properties of N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(oxan-4-ylamino)-3-pyridinyl]pyridine-2-carboxamide?
N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(oxan-4-ylamino)-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 455.52 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(oxan-4-ylamino)-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 134450215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).