2-(dimethylamino)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide

C21H29N5O — CID 110302012

IUPAC2-(dimethylamino)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
SMILESCC(C)N1CCN(c2ccc(NC(=O)c3cccnc3N(C)C)cc2)CC1
InChIInChI=1S/C21H29N5O/c1-16(2)25-12-14-26(15-13-25)18-9-7-17(8-10-18)23-21(27)19-6-5-11-22-20(19)24(3)4/h5-11,16H,12-15H2,1-4H3,(H,23,27)
InChIKeyNOHRZMREACLTLF-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.93
Rot. Bonds5

About 2-(dimethylamino)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide

2-(dimethylamino)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide (PubChem CID 110302012) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
PubChem CID110302012
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name2-(dimethylamino)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
SMILESCC(C)N1CCN(c2ccc(NC(=O)c3cccnc3N(C)C)cc2)CC1
InChIInChI=1S/C21H29N5O/c1-16(2)25-12-14-26(15-13-25)18-9-7-17(8-10-18)23-21(27)19-6-5-11-22-20(19)24(3)4/h5-11,16H,12-15H2,1-4H3,(H,23,27)
InChIKeyNOHRZMREACLTLF-UHFFFAOYSA-N
XLogP2.93
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.93
H-Bond Donors ≤ 51
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-(dimethylamino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 110299290
2-(dimethylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-3-carboxamide
CID 110299291
2-(dimethylamino)-N-phenylpyridine-3-carboxamide
CID 38885522
2-(dimethylamino)-N-[4-(3-oxomorpholin-4-yl)phenyl]pyridine-3-carboxamide
CID 110617692
2-(dimethylamino)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]pyridine-3-carboxamide
CID 110303537
2-(dimethylamino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 38886044
2-(methylamino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 84575067
2,3,4-trifluoro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide
CID 112502704
2,4-dichloro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide
CID 112502708
N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyrrol-1-ylbenzamide
CID 110302002
2-(dimethylamino)-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide
CID 38936617
3-propan-2-yl-2-(4-propan-2-ylphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide
CID 10174229

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide (CID 110302012) is 2-(dimethylamino)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide is CC(C)N1CCN(c2ccc(NC(=O)c3cccnc3N(C)C)cc2)CC1.
What is the InChIKey of 2-(dimethylamino)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is NOHRZMREACLTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-16(2)25-12-14-26(15-13-25)18-9-7-17(8-10-18)23-21(27)19-6-5-11-22-20(19)24(3)4/h5-11,16H,12-15H2,1-4H3,(H,23,27).
What are the key properties of 2-(dimethylamino)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide?
2-(dimethylamino)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 367.50 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 110302012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).