4-(4-propan-2-yloxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide

C21H22N4O2 — CID 109213043

IUPAC4-(4-propan-2-yloxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESCC(C)Oc1ccc(Nc2ccnc(C(=O)NCc3cccnc3)c2)cc1
InChIInChI=1S/C21H22N4O2/c1-15(2)27-19-7-5-17(6-8-19)25-18-9-11-23-20(12-18)21(26)24-14-16-4-3-10-22-13-16/h3-13,15H,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyFBMXKNPIBIGZOR-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.94
Rot. Bonds7

About 4-(4-propan-2-yloxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide

4-(4-propan-2-yloxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 109213043) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-(4-propan-2-yloxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-propan-2-yloxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
PubChem CID109213043
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name4-(4-propan-2-yloxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESCC(C)Oc1ccc(Nc2ccnc(C(=O)NCc3cccnc3)c2)cc1
InChIInChI=1S/C21H22N4O2/c1-15(2)27-19-7-5-17(6-8-19)25-18-9-11-23-20(12-18)21(26)24-14-16-4-3-10-22-13-16/h3-13,15H,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyFBMXKNPIBIGZOR-UHFFFAOYSA-N
XLogP3.94
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109213046
4-(3,4-dichloroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109213080
N-(pyridin-3-ylmethyl)-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109213049
N-(3-methoxypropyl)-4-(4-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109206146
4-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109212998
3-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 4552071
5-(4-methoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191251
4-(propylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 62185886
N-(4-methoxyphenyl)-4-(4-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109221648
4-(3-methoxyanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109221601
4-(4-ethoxyanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210235
4-(4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109213087

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-yloxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(4-propan-2-yloxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (CID 109213043) is 4-(4-propan-2-yloxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-propan-2-yloxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(4-propan-2-yloxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is CC(C)Oc1ccc(Nc2ccnc(C(=O)NCc3cccnc3)c2)cc1.
What is the InChIKey of 4-(4-propan-2-yloxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is FBMXKNPIBIGZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15(2)27-19-7-5-17(6-8-19)25-18-9-11-23-20(12-18)21(26)24-14-16-4-3-10-22-13-16/h3-13,15H,14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 4-(4-propan-2-yloxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
4-(4-propan-2-yloxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-yloxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109213043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).