N-methyl-5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-2-carboxamide

C25H29N7O2 — CID 155539067

IUPACN-methyl-5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2cc(N3CCC(N4CCOCC4)CC3)nc(-c3ccncc3)n2)cn1
InChIInChI=1S/C25H29N7O2/c1-26-25(33)21-3-2-19(17-28-21)22-16-23(30-24(29-22)18-4-8-27-9-5-18)32-10-6-20(7-11-32)31-12-14-34-15-13-31/h2-5,8-9,16-17,20H,6-7,10-15H2,1H3,(H,26,33)
InChIKeyMFMNFLQWLSQSOH-UHFFFAOYSA-N
MW459.55 g/mol
LogP2.26
Rot. Bonds5

About N-methyl-5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-2-carboxamide

N-methyl-5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-2-carboxamide (PubChem CID 155539067) has the molecular formula C25H29N7O2 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-methyl-5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-2-carboxamide
PubChem CID155539067
Molecular FormulaC25H29N7O2
Molecular Weight459.55 g/mol
Exact Mass459.24
IUPAC NameN-methyl-5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2cc(N3CCC(N4CCOCC4)CC3)nc(-c3ccncc3)n2)cn1
InChIInChI=1S/C25H29N7O2/c1-26-25(33)21-3-2-19(17-28-21)22-16-23(30-24(29-22)18-4-8-27-9-5-18)32-10-6-20(7-11-32)31-12-14-34-15-13-31/h2-5,8-9,16-17,20H,6-7,10-15H2,1H3,(H,26,33)
InChIKeyMFMNFLQWLSQSOH-UHFFFAOYSA-N
XLogP2.26
TPSA96.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-2-carboxamide (CID 155539067) is N-methyl-5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-2-carboxamide is CNC(=O)c1ccc(-c2cc(N3CCC(N4CCOCC4)CC3)nc(-c3ccncc3)n2)cn1.
What is the InChIKey of N-methyl-5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-2-carboxamide?
The InChIKey is MFMNFLQWLSQSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2/c1-26-25(33)21-3-2-19(17-28-21)22-16-23(30-24(29-22)18-4-8-27-9-5-18)32-10-6-20(7-11-32)31-12-14-34-15-13-31/h2-5,8-9,16-17,20H,6-7,10-15H2,1H3,(H,26,33).
What are the key properties of N-methyl-5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-2-carboxamide?
N-methyl-5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-2-carboxamide has a molecular weight of 459.55 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 155539067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).