N-[4-[[[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]carbamoyl]amino]methyl]phenyl]pyridine-4-carboxamide

C24H34N6O2 — CID 86893044

IUPACN-[4-[[[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]carbamoyl]amino]methyl]phenyl]pyridine-4-carboxamide
SMILESCN1CCC(N(C)CCN(C)C(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)CC1
InChIInChI=1S/C24H34N6O2/c1-28-14-10-22(11-15-28)29(2)16-17-30(3)24(32)26-18-19-4-6-21(7-5-19)27-23(31)20-8-12-25-13-9-20/h4-9,12-13,22H,10-11,14-18H2,1-3H3,(H,26,32)(H,27,31)
InChIKeyVAFDLJPDWRFKJJ-UHFFFAOYSA-N
MW438.58 g/mol
LogP2.50
Rot. Bonds8

About N-[4-[[[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]carbamoyl]amino]methyl]phenyl]pyridine-4-carboxamide

N-[4-[[[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]carbamoyl]amino]methyl]phenyl]pyridine-4-carboxamide (PubChem CID 86893044) has the molecular formula C24H34N6O2 and a molecular weight of 438.58 g/mol. Its IUPAC name is N-[4-[[[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]carbamoyl]amino]methyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[[[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]carbamoyl]amino]methyl]phenyl]pyridine-4-carboxamide
PubChem CID86893044
Molecular FormulaC24H34N6O2
Molecular Weight438.58 g/mol
Exact Mass438.27
IUPAC NameN-[4-[[[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]carbamoyl]amino]methyl]phenyl]pyridine-4-carboxamide
SMILESCN1CCC(N(C)CCN(C)C(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)CC1
InChIInChI=1S/C24H34N6O2/c1-28-14-10-22(11-15-28)29(2)16-17-30(3)24(32)26-18-19-4-6-21(7-5-19)27-23(31)20-8-12-25-13-9-20/h4-9,12-13,22H,10-11,14-18H2,1-3H3,(H,26,32)(H,27,31)
InChIKeyVAFDLJPDWRFKJJ-UHFFFAOYSA-N
XLogP2.50
TPSA80.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]carbamoyl]amino]methyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-[[[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]carbamoyl]amino]methyl]phenyl]pyridine-4-carboxamide (CID 86893044) is N-[4-[[[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]carbamoyl]amino]methyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[[[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]carbamoyl]amino]methyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[[[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]carbamoyl]amino]methyl]phenyl]pyridine-4-carboxamide is CN1CCC(N(C)CCN(C)C(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)CC1.
What is the InChIKey of N-[4-[[[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]carbamoyl]amino]methyl]phenyl]pyridine-4-carboxamide?
The InChIKey is VAFDLJPDWRFKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O2/c1-28-14-10-22(11-15-28)29(2)16-17-30(3)24(32)26-18-19-4-6-21(7-5-19)27-23(31)20-8-12-25-13-9-20/h4-9,12-13,22H,10-11,14-18H2,1-3H3,(H,26,32)(H,27,31).
What are the key properties of N-[4-[[[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]carbamoyl]amino]methyl]phenyl]pyridine-4-carboxamide?
N-[4-[[[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]carbamoyl]amino]methyl]phenyl]pyridine-4-carboxamide has a molecular weight of 438.58 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]carbamoyl]amino]methyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 86893044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).