N-[(5-methyl-3-pyridinyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide

C17H20N4O2 — CID 99634295

IUPACN-[(5-methyl-3-pyridinyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
SMILESCc1cncc(CNC(=O)c2cc(N3CCOCC3)ccn2)c1
InChIInChI=1S/C17H20N4O2/c1-13-8-14(11-18-10-13)12-20-17(22)16-9-15(2-3-19-16)21-4-6-23-7-5-21/h2-3,8-11H,4-7,12H2,1H3,(H,20,22)
InChIKeyNLUNOEHUNINZSG-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.55
Rot. Bonds4

About N-[(5-methyl-3-pyridinyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide

N-[(5-methyl-3-pyridinyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide (PubChem CID 99634295) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(5-methyl-3-pyridinyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-3-pyridinyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
PubChem CID99634295
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[(5-methyl-3-pyridinyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
SMILESCc1cncc(CNC(=O)c2cc(N3CCOCC3)ccn2)c1
InChIInChI=1S/C17H20N4O2/c1-13-8-14(11-18-10-13)12-20-17(22)16-9-15(2-3-19-16)21-4-6-23-7-5-21/h2-3,8-11H,4-7,12H2,1H3,(H,20,22)
InChIKeyNLUNOEHUNINZSG-UHFFFAOYSA-N
XLogP1.55
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methylthiophen-2-yl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 86804623
N-(2-methylpropyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 109202858
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 86804680
N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 9401810
N-[2-(6-methyl-3-pyridinyl)ethyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 91650790
N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208236
4-morpholin-4-yl-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109206585
N-[(3-methylphenyl)methyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109210191
5-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109184765
N-benzyl-4-[2-(2-methylphenyl)morpholin-4-yl]pyridine-2-carboxamide
CID 133354183
N-[(4-fluorophenyl)methyl]-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109211394
4-morpholin-4-yl-N-[(2S)-2-thiophen-2-ylpropyl]pyridine-2-carboxamide
CID 99630321

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-3-pyridinyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide?
The IUPAC name of N-[(5-methyl-3-pyridinyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide (CID 99634295) is N-[(5-methyl-3-pyridinyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[(5-methyl-3-pyridinyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide?
The canonical SMILES for N-[(5-methyl-3-pyridinyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide is Cc1cncc(CNC(=O)c2cc(N3CCOCC3)ccn2)c1.
What is the InChIKey of N-[(5-methyl-3-pyridinyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide?
The InChIKey is NLUNOEHUNINZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-13-8-14(11-18-10-13)12-20-17(22)16-9-15(2-3-19-16)21-4-6-23-7-5-21/h2-3,8-11H,4-7,12H2,1H3,(H,20,22).
What are the key properties of N-[(5-methyl-3-pyridinyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide?
N-[(5-methyl-3-pyridinyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-3-pyridinyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 99634295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).