N-cycloheptyl-4-(4-propan-2-yloxyanilino)pyridine-2-carboxamide

C22H29N3O2 — CID 109217095

IUPACN-cycloheptyl-4-(4-propan-2-yloxyanilino)pyridine-2-carboxamide
SMILESCC(C)Oc1ccc(Nc2ccnc(C(=O)NC3CCCCCC3)c2)cc1
InChIInChI=1S/C22H29N3O2/c1-16(2)27-20-11-9-18(10-12-20)24-19-13-14-23-21(15-19)22(26)25-17-7-5-3-4-6-8-17/h9-17H,3-8H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyGHGVUBJGRQEKSF-UHFFFAOYSA-N
MW367.49 g/mol
LogP5.07
Rot. Bonds6

About N-cycloheptyl-4-(4-propan-2-yloxyanilino)pyridine-2-carboxamide

N-cycloheptyl-4-(4-propan-2-yloxyanilino)pyridine-2-carboxamide (PubChem CID 109217095) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-cycloheptyl-4-(4-propan-2-yloxyanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-4-(4-propan-2-yloxyanilino)pyridine-2-carboxamide
PubChem CID109217095
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-cycloheptyl-4-(4-propan-2-yloxyanilino)pyridine-2-carboxamide
SMILESCC(C)Oc1ccc(Nc2ccnc(C(=O)NC3CCCCCC3)c2)cc1
InChIInChI=1S/C22H29N3O2/c1-16(2)27-20-11-9-18(10-12-20)24-19-13-14-23-21(15-19)22(26)25-17-7-5-3-4-6-8-17/h9-17H,3-8H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyGHGVUBJGRQEKSF-UHFFFAOYSA-N
XLogP5.07
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclopentyl-2-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide
CID 109080807
4-(4-chloroanilino)-N-cyclopentylpyridine-2-carboxamide
CID 109204096
N-(4-methoxyphenyl)-4-(4-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109221648
N-cyclohexyl-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109226756
N-cyclohexyl-4-[4-(diethylamino)anilino]pyridine-2-carboxamide
CID 109204867
N-(3-methoxypropyl)-4-(4-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109206146
4-(4-acetylanilino)-N-cyclopropylpyridine-2-carboxamide
CID 109201823
4-(3-acetamidoanilino)-N-cycloheptylpyridine-2-carboxamide
CID 109217101
N-cyclohexyl-6-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109152499
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109205510
4-(butan-2-ylamino)-N-cyclohexylpyridine-2-carboxamide
CID 109203427
N-cycloheptyl-4-hydrazinylpyridine-2-carboxamide
CID 62241897

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-(4-propan-2-yloxyanilino)pyridine-2-carboxamide?
The IUPAC name of N-cycloheptyl-4-(4-propan-2-yloxyanilino)pyridine-2-carboxamide (CID 109217095) is N-cycloheptyl-4-(4-propan-2-yloxyanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-cycloheptyl-4-(4-propan-2-yloxyanilino)pyridine-2-carboxamide?
The canonical SMILES for N-cycloheptyl-4-(4-propan-2-yloxyanilino)pyridine-2-carboxamide is CC(C)Oc1ccc(Nc2ccnc(C(=O)NC3CCCCCC3)c2)cc1.
What is the InChIKey of N-cycloheptyl-4-(4-propan-2-yloxyanilino)pyridine-2-carboxamide?
The InChIKey is GHGVUBJGRQEKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-16(2)27-20-11-9-18(10-12-20)24-19-13-14-23-21(15-19)22(26)25-17-7-5-3-4-6-8-17/h9-17H,3-8H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-cycloheptyl-4-(4-propan-2-yloxyanilino)pyridine-2-carboxamide?
N-cycloheptyl-4-(4-propan-2-yloxyanilino)pyridine-2-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 5.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-(4-propan-2-yloxyanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109217095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).