4-methoxy-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-2-carboxamide

C17H21N5O2 — CID 90649799

IUPAC4-methoxy-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)NCC2CCCN(c3ncccn3)C2)c1
InChIInChI=1S/C17H21N5O2/c1-24-14-5-8-18-15(10-14)16(23)21-11-13-4-2-9-22(12-13)17-19-6-3-7-20-17/h3,5-8,10,13H,2,4,9,11-12H2,1H3,(H,21,23)
InChIKeyXCGSOAAYXZBXPB-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.53
Rot. Bonds5

About 4-methoxy-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-2-carboxamide

4-methoxy-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-2-carboxamide (PubChem CID 90649799) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 4-methoxy-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-2-carboxamide
PubChem CID90649799
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name4-methoxy-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)NCC2CCCN(c3ncccn3)C2)c1
InChIInChI=1S/C17H21N5O2/c1-24-14-5-8-18-15(10-14)16(23)21-11-13-4-2-9-22(12-13)17-19-6-3-7-20-17/h3,5-8,10,13H,2,4,9,11-12H2,1H3,(H,21,23)
InChIKeyXCGSOAAYXZBXPB-UHFFFAOYSA-N
XLogP1.53
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-pyrrole-3-carboxamide
CID 90652236
N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
CID 122136877
N-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-2H-benzotriazole-5-carboxamide
CID 99928341
8-fluoro-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]quinoline-2-carboxamide
CID 97138878
(3S)-N-[(3-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452514
N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-indole-6-carboxamide
CID 77088126
5-chloro-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 90648732
2-[3-(2-aminoethoxy)phenyl]-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]acetamide
CID 118795123
4-(4-phenylphenoxy)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-2-carboxamide
CID 53465165
4-(3-bromophenoxy)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-2-carboxamide
CID 53465164
N-[(4-acetylmorpholin-2-yl)methyl]-4-methoxypyridine-2-carboxamide
CID 118785820
N-[(4-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221424

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-methoxy-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-2-carboxamide (CID 90649799) is 4-methoxy-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-methoxy-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-2-carboxamide is COc1ccnc(C(=O)NCC2CCCN(c3ncccn3)C2)c1.
What is the InChIKey of 4-methoxy-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-2-carboxamide?
The InChIKey is XCGSOAAYXZBXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-24-14-5-8-18-15(10-14)16(23)21-11-13-4-2-9-22(12-13)17-19-6-3-7-20-17/h3,5-8,10,13H,2,4,9,11-12H2,1H3,(H,21,23).
What are the key properties of 4-methoxy-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-2-carboxamide?
4-methoxy-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-2-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 90649799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).