2-(dimethylamino)-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-pyridin-2-ylpyrimidine-5-carboxamide

C24H30N6O2 — CID 91952657

IUPAC2-(dimethylamino)-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-pyridin-2-ylpyrimidine-5-carboxamide
SMILESCC1CCN(C(CNC(=O)c2cnc(N(C)C)nc2-c2ccccn2)c2ccco2)CC1
InChIInChI=1S/C24H30N6O2/c1-17-9-12-30(13-10-17)20(21-8-6-14-32-21)16-26-23(31)18-15-27-24(29(2)3)28-22(18)19-7-4-5-11-25-19/h4-8,11,14-15,17,20H,9-10,12-13,16H2,1-3H3,(H,26,31)
InChIKeyJCXQTHUJNQEOLA-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.40
Rot. Bonds7

About 2-(dimethylamino)-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-pyridin-2-ylpyrimidine-5-carboxamide

2-(dimethylamino)-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-pyridin-2-ylpyrimidine-5-carboxamide (PubChem CID 91952657) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-pyridin-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-pyridin-2-ylpyrimidine-5-carboxamide
PubChem CID91952657
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name2-(dimethylamino)-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-pyridin-2-ylpyrimidine-5-carboxamide
SMILESCC1CCN(C(CNC(=O)c2cnc(N(C)C)nc2-c2ccccn2)c2ccco2)CC1
InChIInChI=1S/C24H30N6O2/c1-17-9-12-30(13-10-17)20(21-8-6-14-32-21)16-26-23(31)18-15-27-24(29(2)3)28-22(18)19-7-4-5-11-25-19/h4-8,11,14-15,17,20H,9-10,12-13,16H2,1-3H3,(H,26,31)
InChIKeyJCXQTHUJNQEOLA-UHFFFAOYSA-N
XLogP3.40
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-3-pyrrol-1-ylbenzamide
CID 110302591
4-bromo-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide;hydrochloride
CID 52985470
2-cyclopropyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methylpyrimidine-5-carboxamide
CID 95122584
N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-phenoxybutanamide
CID 112503523
3-chloro-N-[(2R)-2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 26834359
N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91959829
N-[(2R)-2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 26834379
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]naphthalene-1-carboxamide
CID 26834307
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzamide
CID 43842816
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 94176269
2-ethoxy-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyridine-3-carboxamide
CID 4878101
2-fluoro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834331

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-pyridin-2-ylpyrimidine-5-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-pyridin-2-ylpyrimidine-5-carboxamide (CID 91952657) is 2-(dimethylamino)-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-pyridin-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-pyridin-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-pyridin-2-ylpyrimidine-5-carboxamide is CC1CCN(C(CNC(=O)c2cnc(N(C)C)nc2-c2ccccn2)c2ccco2)CC1.
What is the InChIKey of 2-(dimethylamino)-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-pyridin-2-ylpyrimidine-5-carboxamide?
The InChIKey is JCXQTHUJNQEOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-17-9-12-30(13-10-17)20(21-8-6-14-32-21)16-26-23(31)18-15-27-24(29(2)3)28-22(18)19-7-4-5-11-25-19/h4-8,11,14-15,17,20H,9-10,12-13,16H2,1-3H3,(H,26,31).
What are the key properties of 2-(dimethylamino)-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-pyridin-2-ylpyrimidine-5-carboxamide?
2-(dimethylamino)-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-pyridin-2-ylpyrimidine-5-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-pyridin-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 91952657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).