N-[6-[4-(diethylamino)anilino]-3-pyridinyl]pyridine-3-carboxamide

C21H23N5O — CID 113020962

IUPACN-[6-[4-(diethylamino)anilino]-3-pyridinyl]pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(Nc2ccc(NC(=O)c3cccnc3)cn2)cc1
InChIInChI=1S/C21H23N5O/c1-3-26(4-2)19-10-7-17(8-11-19)24-20-12-9-18(15-23-20)25-21(27)16-6-5-13-22-14-16/h5-15H,3-4H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyBWQDPIJLRDFADO-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.32
Rot. Bonds7

About N-[6-[4-(diethylamino)anilino]-3-pyridinyl]pyridine-3-carboxamide

N-[6-[4-(diethylamino)anilino]-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 113020962) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[6-[4-(diethylamino)anilino]-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-[4-(diethylamino)anilino]-3-pyridinyl]pyridine-3-carboxamide
PubChem CID113020962
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-[6-[4-(diethylamino)anilino]-3-pyridinyl]pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(Nc2ccc(NC(=O)c3cccnc3)cn2)cc1
InChIInChI=1S/C21H23N5O/c1-3-26(4-2)19-10-7-17(8-11-19)24-20-12-9-18(15-23-20)25-21(27)16-6-5-13-22-14-16/h5-15H,3-4H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyBWQDPIJLRDFADO-UHFFFAOYSA-N
XLogP4.32
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 109163316
N-[4-(diethylamino)phenyl]-6-(4-methylanilino)pyridine-3-carboxamide
CID 109162272
N-[6-(propanoylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 43812722
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-fluorobenzamide
CID 113020947
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-methoxybenzamide
CID 113020950
N-[6-(3-chloroanilino)-3-pyridinyl]pyridine-3-carboxamide
CID 113018532
N-[5-[4-(diethylamino)anilino]-2-pyridinyl]-3-methoxybenzamide
CID 113035591
N-[5-(4-ethoxyanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113034364
N-[5-(4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113031564
2-anilino-N-[4-(diethylamino)phenyl]pyridine-4-carboxamide
CID 109176141
N-[6-(2,4-dimethylanilino)-3-pyridinyl]pyridine-3-carboxamide
CID 113016789
6-[4-(diethylamino)anilino]-N,N-diethylpyridine-3-carboxamide
CID 109160758

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(diethylamino)anilino]-3-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of N-[6-[4-(diethylamino)anilino]-3-pyridinyl]pyridine-3-carboxamide (CID 113020962) is N-[6-[4-(diethylamino)anilino]-3-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[6-[4-(diethylamino)anilino]-3-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for N-[6-[4-(diethylamino)anilino]-3-pyridinyl]pyridine-3-carboxamide is CCN(CC)c1ccc(Nc2ccc(NC(=O)c3cccnc3)cn2)cc1.
What is the InChIKey of N-[6-[4-(diethylamino)anilino]-3-pyridinyl]pyridine-3-carboxamide?
The InChIKey is BWQDPIJLRDFADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-3-26(4-2)19-10-7-17(8-11-19)24-20-12-9-18(15-23-20)25-21(27)16-6-5-13-22-14-16/h5-15H,3-4H2,1-2H3,(H,23,24)(H,25,27).
What are the key properties of N-[6-[4-(diethylamino)anilino]-3-pyridinyl]pyridine-3-carboxamide?
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(diethylamino)anilino]-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 113020962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).