N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(methylamino)pyridine-4-carboxamide

C18H22N4O2 — CID 91763983

IUPACN-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NC(Cc2ccncc2)C2CC(O)C2)ccn1
InChIInChI=1S/C18H22N4O2/c1-19-17-11-13(4-7-21-17)18(24)22-16(14-9-15(23)10-14)8-12-2-5-20-6-3-12/h2-7,11,14-16,23H,8-10H2,1H3,(H,19,21)(H,22,24)
InChIKeyCKTJXEISOGEBCC-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.63
Rot. Bonds6

About N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(methylamino)pyridine-4-carboxamide

N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(methylamino)pyridine-4-carboxamide (PubChem CID 91763983) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(methylamino)pyridine-4-carboxamide
PubChem CID91763983
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NC(Cc2ccncc2)C2CC(O)C2)ccn1
InChIInChI=1S/C18H22N4O2/c1-19-17-11-13(4-7-21-17)18(24)22-16(14-9-15(23)10-14)8-12-2-5-20-6-3-12/h2-7,11,14-16,23H,8-10H2,1H3,(H,19,21)(H,22,24)
InChIKeyCKTJXEISOGEBCC-UHFFFAOYSA-N
XLogP1.63
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-3-pyrazol-1-ylbenzamide
CID 91776192
6-cyano-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]pyridine-3-carboxamide
CID 91767901
N-(1-cyclohexylpropyl)-2-(methylamino)pyridine-4-carboxamide
CID 62407614
N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-4-methoxy-2-methylbenzamide
CID 91771484
2-chloro-4-fluoro-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]benzamide
CID 91789451
2-(methylamino)-N-(1-phenylpropan-2-yl)pyridine-4-carboxamide
CID 63011141
N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-methyl-1-benzofuran-7-carboxamide
CID 91773704
2-(1,3-benzodioxol-5-yl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]acetamide
CID 91761671
N-[1-(3-hydroxycyclobutyl)propyl]-2-pyridin-4-ylacetamide
CID 91781242
N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 55046834
N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 91767171
N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(1H-indol-3-yl)acetamide
CID 91777146

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(methylamino)pyridine-4-carboxamide (CID 91763983) is N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)NC(Cc2ccncc2)C2CC(O)C2)ccn1.
What is the InChIKey of N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is CKTJXEISOGEBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-19-17-11-13(4-7-21-17)18(24)22-16(14-9-15(23)10-14)8-12-2-5-20-6-3-12/h2-7,11,14-16,23H,8-10H2,1H3,(H,19,21)(H,22,24).
What are the key properties of N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(methylamino)pyridine-4-carboxamide?
N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.63, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 91763983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).