N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-4-morpholin-4-ylpyridine-2-carboxamide

C21H27N5O2 — CID 126779419

IUPACN-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-4-morpholin-4-ylpyridine-2-carboxamide
SMILESCc1cccc(N2CCC(NC(=O)c3cc(N4CCOCC4)ccn3)CC2)n1
InChIInChI=1S/C21H27N5O2/c1-16-3-2-4-20(23-16)26-9-6-17(7-10-26)24-21(27)19-15-18(5-8-22-19)25-11-13-28-14-12-25/h2-5,8,15,17H,6-7,9-14H2,1H3,(H,24,27)
InChIKeyGNGKEEXAIGRRIK-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.02
Rot. Bonds4

About N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-4-morpholin-4-ylpyridine-2-carboxamide

N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-4-morpholin-4-ylpyridine-2-carboxamide (PubChem CID 126779419) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-4-morpholin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-4-morpholin-4-ylpyridine-2-carboxamide
PubChem CID126779419
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-4-morpholin-4-ylpyridine-2-carboxamide
SMILESCc1cccc(N2CCC(NC(=O)c3cc(N4CCOCC4)ccn3)CC2)n1
InChIInChI=1S/C21H27N5O2/c1-16-3-2-4-20(23-16)26-9-6-17(7-10-26)24-21(27)19-15-18(5-8-22-19)25-11-13-28-14-12-25/h2-5,8,15,17H,6-7,9-14H2,1H3,(H,24,27)
InChIKeyGNGKEEXAIGRRIK-UHFFFAOYSA-N
XLogP2.02
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-4-morpholin-4-ylpyridine-2-carboxamide?
The IUPAC name of N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-4-morpholin-4-ylpyridine-2-carboxamide (CID 126779419) is N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-4-morpholin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-4-morpholin-4-ylpyridine-2-carboxamide?
The canonical SMILES for N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-4-morpholin-4-ylpyridine-2-carboxamide is Cc1cccc(N2CCC(NC(=O)c3cc(N4CCOCC4)ccn3)CC2)n1.
What is the InChIKey of N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-4-morpholin-4-ylpyridine-2-carboxamide?
The InChIKey is GNGKEEXAIGRRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-16-3-2-4-20(23-16)26-9-6-17(7-10-26)24-21(27)19-15-18(5-8-22-19)25-11-13-28-14-12-25/h2-5,8,15,17H,6-7,9-14H2,1H3,(H,24,27).
What are the key properties of N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-4-morpholin-4-ylpyridine-2-carboxamide?
N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-4-morpholin-4-ylpyridine-2-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-4-morpholin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 126779419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).