N-methyl-5-[methyl-[3-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propyl]amino]pyridine-2-carboxamide

C24H30N6O2 — CID 169149009

IUPACN-methyl-5-[methyl-[3-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propyl]amino]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N(C)CCCN2CCCC(c3nc4ccccc4c(=O)[nH]3)C2)cn1
InChIInChI=1S/C24H30N6O2/c1-25-24(32)21-11-10-18(15-26-21)29(2)12-6-14-30-13-5-7-17(16-30)22-27-20-9-4-3-8-19(20)23(31)28-22/h3-4,8-11,15,17H,5-7,12-14,16H2,1-2H3,(H,25,32)(H,27,28,31)
InChIKeyBFWYQFIHQNGJCE-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.38
Rot. Bonds7

About N-methyl-5-[methyl-[3-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propyl]amino]pyridine-2-carboxamide

N-methyl-5-[methyl-[3-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propyl]amino]pyridine-2-carboxamide (PubChem CID 169149009) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-methyl-5-[methyl-[3-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[methyl-[3-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propyl]amino]pyridine-2-carboxamide
PubChem CID169149009
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC NameN-methyl-5-[methyl-[3-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propyl]amino]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N(C)CCCN2CCCC(c3nc4ccccc4c(=O)[nH]3)C2)cn1
InChIInChI=1S/C24H30N6O2/c1-25-24(32)21-11-10-18(15-26-21)29(2)12-6-14-30-13-5-7-17(16-30)22-27-20-9-4-3-8-19(20)23(31)28-22/h3-4,8-11,15,17H,5-7,12-14,16H2,1-2H3,(H,25,32)(H,27,28,31)
InChIKeyBFWYQFIHQNGJCE-UHFFFAOYSA-N
XLogP2.38
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[methyl-[3-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propyl]amino]pyridine-2-carboxamide?
The IUPAC name of N-methyl-5-[methyl-[3-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propyl]amino]pyridine-2-carboxamide (CID 169149009) is N-methyl-5-[methyl-[3-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-5-[methyl-[3-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propyl]amino]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-5-[methyl-[3-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propyl]amino]pyridine-2-carboxamide is CNC(=O)c1ccc(N(C)CCCN2CCCC(c3nc4ccccc4c(=O)[nH]3)C2)cn1.
What is the InChIKey of N-methyl-5-[methyl-[3-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propyl]amino]pyridine-2-carboxamide?
The InChIKey is BFWYQFIHQNGJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-25-24(32)21-11-10-18(15-26-21)29(2)12-6-14-30-13-5-7-17(16-30)22-27-20-9-4-3-8-19(20)23(31)28-22/h3-4,8-11,15,17H,5-7,12-14,16H2,1-2H3,(H,25,32)(H,27,28,31).
What are the key properties of N-methyl-5-[methyl-[3-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propyl]amino]pyridine-2-carboxamide?
N-methyl-5-[methyl-[3-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propyl]amino]pyridine-2-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[methyl-[3-[3-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 169149009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).