2-(butan-2-ylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide

C21H29N5O — CID 109165951

IUPAC2-(butan-2-ylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
SMILESCCC(C)Nc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)ccn1
InChIInChI=1S/C21H29N5O/c1-4-16(2)23-20-15-17(9-10-22-20)21(27)24-18-5-7-19(8-6-18)26-13-11-25(3)12-14-26/h5-10,15-16H,4,11-14H2,1-3H3,(H,22,23)(H,24,27)
InChIKeyDZHIQVONZXFZFR-UHFFFAOYSA-N
MW367.50 g/mol
LogP3.30
Rot. Bonds6

About 2-(butan-2-ylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide

2-(butan-2-ylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide (PubChem CID 109165951) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
PubChem CID109165951
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name2-(butan-2-ylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
SMILESCCC(C)Nc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)ccn1
InChIInChI=1S/C21H29N5O/c1-4-16(2)23-20-15-17(9-10-22-20)21(27)24-18-5-7-19(8-6-18)26-13-11-25(3)12-14-26/h5-10,15-16H,4,11-14H2,1-3H3,(H,22,23)(H,24,27)
InChIKeyDZHIQVONZXFZFR-UHFFFAOYSA-N
XLogP3.30
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.30
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

2-(butan-2-ylamino)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109165938
methyl 4-[[2-(butan-2-ylamino)pyridine-4-carbonyl]amino]benzoate
CID 109165944
2-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
CID 109168430
2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079711
2-N,2-N-diethyl-4-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,4-dicarboxamide
CID 109088980
N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756617
N-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide
CID 109165227
3-ethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 834145
2-(2-methoxyethylamino)-N-(4-piperidin-1-ylphenyl)pyridine-4-carboxamide
CID 109166955
N-[2-(dimethylamino)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide
CID 109167751
3,4-dihydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 113199321
2-[(4-methylphenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109170032

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(butan-2-ylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide (CID 109165951) is 2-(butan-2-ylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide is CCC(C)Nc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)ccn1.
What is the InChIKey of 2-(butan-2-ylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide?
The InChIKey is DZHIQVONZXFZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-4-16(2)23-20-15-17(9-10-22-20)21(27)24-18-5-7-19(8-6-18)26-13-11-25(3)12-14-26/h5-10,15-16H,4,11-14H2,1-3H3,(H,22,23)(H,24,27).
What are the key properties of 2-(butan-2-ylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide?
2-(butan-2-ylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide has a molecular weight of 367.50 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 109165951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).