2-N,2-N,6-trimethyl-5-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-2,5-dicarboxamide

C23H31N5O2 — CID 86891495

IUPAC2-N,2-N,6-trimethyl-5-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-2,5-dicarboxamide
SMILESCc1nc(C(=O)N(C)C)ccc1C(=O)NCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H31N5O2/c1-18-20(10-11-21(25-18)23(30)26(2)3)22(29)24-12-7-13-27-14-16-28(17-15-27)19-8-5-4-6-9-19/h4-6,8-11H,7,12-17H2,1-3H3,(H,24,29)
InChIKeyDUOTVPSUPYUNSV-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.03
Rot. Bonds7

About 2-N,2-N,6-trimethyl-5-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-2,5-dicarboxamide

2-N,2-N,6-trimethyl-5-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-2,5-dicarboxamide (PubChem CID 86891495) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-N,2-N,6-trimethyl-5-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,2-N,6-trimethyl-5-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-2,5-dicarboxamide
PubChem CID86891495
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC Name2-N,2-N,6-trimethyl-5-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-2,5-dicarboxamide
SMILESCc1nc(C(=O)N(C)C)ccc1C(=O)NCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H31N5O2/c1-18-20(10-11-21(25-18)23(30)26(2)3)22(29)24-12-7-13-27-14-16-28(17-15-27)19-8-5-4-6-9-19/h4-6,8-11H,7,12-17H2,1-3H3,(H,24,29)
InChIKeyDUOTVPSUPYUNSV-UHFFFAOYSA-N
XLogP2.03
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-N,2-N,6-trimethyl-5-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-2,5-dicarboxamide with MolForge

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Related Compounds

N-(2-(Dimethylamino)ethyl)acridine-4-carboxamide
CID 107805
Niaprazine
CID 71919
Saruparib
CID 155586901
Rhetsinine
CID 99652
(3,3-Dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone
CID 24808495
1-(4-Methoxybutyl)-N-(2-Methylpropyl)-N-[(3s,5r)-5-(Morpholine-4-Carbonyl)piperidin-3-Yl]-5-Phenyl-1h-Pyrrole-2-Carboxamide
CID 58355693
2-N,6-N-bis(2,6-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 1010589
Azd9574
CID 162524593
SN-28049
CID 9862688
Piberaline
CID 65975
9-Amino-N-(2-(dimethylamino)ethyl)-4-acridinecarboxamide
CID 128962
6-(3-Fluorophenyl)-N-[1-(2,2,2-Trifluoroethyl)piperidin-4-Yl]pyridine-3-Carboxamide
CID 24991044

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,6-trimethyl-5-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-2,5-dicarboxamide?
The IUPAC name of 2-N,2-N,6-trimethyl-5-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-2,5-dicarboxamide (CID 86891495) is 2-N,2-N,6-trimethyl-5-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N,2-N,6-trimethyl-5-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N,2-N,6-trimethyl-5-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-2,5-dicarboxamide is Cc1nc(C(=O)N(C)C)ccc1C(=O)NCCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-N,2-N,6-trimethyl-5-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-2,5-dicarboxamide?
The InChIKey is DUOTVPSUPYUNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-18-20(10-11-21(25-18)23(30)26(2)3)22(29)24-12-7-13-27-14-16-28(17-15-27)19-8-5-4-6-9-19/h4-6,8-11H,7,12-17H2,1-3H3,(H,24,29).
What are the key properties of 2-N,2-N,6-trimethyl-5-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-2,5-dicarboxamide?
2-N,2-N,6-trimethyl-5-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-2,5-dicarboxamide has a molecular weight of 409.53 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,6-trimethyl-5-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 86891495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).