N-cyclohexyl-4-[4-(diethylamino)anilino]pyridine-2-carboxamide

C22H30N4O — CID 109204867

IUPACN-cyclohexyl-4-[4-(diethylamino)anilino]pyridine-2-carboxamide
SMILESCCN(CC)c1ccc(Nc2ccnc(C(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C22H30N4O/c1-3-26(4-2)20-12-10-18(11-13-20)24-19-14-15-23-21(16-19)22(27)25-17-8-6-5-7-9-17/h10-17H,3-9H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyFAIXIZRKICDELP-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.73
Rot. Bonds7

About N-cyclohexyl-4-[4-(diethylamino)anilino]pyridine-2-carboxamide

N-cyclohexyl-4-[4-(diethylamino)anilino]pyridine-2-carboxamide (PubChem CID 109204867) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N-cyclohexyl-4-[4-(diethylamino)anilino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[4-(diethylamino)anilino]pyridine-2-carboxamide
PubChem CID109204867
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC NameN-cyclohexyl-4-[4-(diethylamino)anilino]pyridine-2-carboxamide
SMILESCCN(CC)c1ccc(Nc2ccnc(C(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C22H30N4O/c1-3-26(4-2)20-12-10-18(11-13-20)24-19-14-15-23-21(16-19)22(27)25-17-8-6-5-7-9-17/h10-17H,3-9H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyFAIXIZRKICDELP-UHFFFAOYSA-N
XLogP4.73
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-4-[4-(diethylamino)-2-methylanilino]pyridine-2-carboxamide
CID 109201867
4-(4-chloroanilino)-N-cyclopentylpyridine-2-carboxamide
CID 109204096
N-cyclopropyl-4-(diethylamino)pyridine-2-carboxamide
CID 109201751
4-[4-(diethylamino)anilino]-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109219248
N-cyclopropyl-2-[4-(diethylamino)anilino]pyrimidine-4-carboxamide
CID 109295866
N-cyclohexyl-4-(ethylamino)pyridine-2-carboxamide
CID 62171612
N-cycloheptyl-4-(4-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109217095
4-(4-acetylanilino)-N-cyclopropylpyridine-2-carboxamide
CID 109201823
4-(3-acetamidoanilino)-N-cycloheptylpyridine-2-carboxamide
CID 109217101
4-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 109222360
4-[benzyl(ethyl)amino]-N-cycloheptylpyridine-2-carboxamide
CID 109212597
4-(butan-2-ylamino)-N-cyclohexylpyridine-2-carboxamide
CID 109203427

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[4-(diethylamino)anilino]pyridine-2-carboxamide?
The IUPAC name of N-cyclohexyl-4-[4-(diethylamino)anilino]pyridine-2-carboxamide (CID 109204867) is N-cyclohexyl-4-[4-(diethylamino)anilino]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[4-(diethylamino)anilino]pyridine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[4-(diethylamino)anilino]pyridine-2-carboxamide is CCN(CC)c1ccc(Nc2ccnc(C(=O)NC3CCCCC3)c2)cc1.
What is the InChIKey of N-cyclohexyl-4-[4-(diethylamino)anilino]pyridine-2-carboxamide?
The InChIKey is FAIXIZRKICDELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-3-26(4-2)20-12-10-18(11-13-20)24-19-14-15-23-21(16-19)22(27)25-17-8-6-5-7-9-17/h10-17H,3-9H2,1-2H3,(H,23,24)(H,25,27).
What are the key properties of N-cyclohexyl-4-[4-(diethylamino)anilino]pyridine-2-carboxamide?
N-cyclohexyl-4-[4-(diethylamino)anilino]pyridine-2-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[4-(diethylamino)anilino]pyridine-2-carboxamide is sourced from PubChem (CID 109204867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).