N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-ylpropanamide

C17H22N4O2 — CID 91773302

IUPACN-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-ylpropanamide
SMILESCn1cc(C(NC(=O)CCc2cccnc2)C2CC(O)C2)cn1
InChIInChI=1S/C17H22N4O2/c1-21-11-14(10-19-21)17(13-7-15(22)8-13)20-16(23)5-4-12-3-2-6-18-9-12/h2-3,6,9-11,13,15,17,22H,4-5,7-8H2,1H3,(H,20,23)
InChIKeyXTAFDVBTDKRXRQ-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.38
Rot. Bonds6

About N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-ylpropanamide

N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-ylpropanamide (PubChem CID 91773302) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-ylpropanamide
PubChem CID91773302
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-ylpropanamide
SMILESCn1cc(C(NC(=O)CCc2cccnc2)C2CC(O)C2)cn1
InChIInChI=1S/C17H22N4O2/c1-21-11-14(10-19-21)17(13-7-15(22)8-13)20-16(23)5-4-12-3-2-6-18-9-12/h2-3,6,9-11,13,15,17,22H,4-5,7-8H2,1H3,(H,20,23)
InChIKeyXTAFDVBTDKRXRQ-UHFFFAOYSA-N
XLogP1.38
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-pyridin-3-ylpropanamide
CID 91770476
2-(2,3-dihydroindol-1-yl)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide
CID 91782873
N-(1-methylpyrazol-4-yl)-3-pyridin-3-ylpropanamide
CID 32605738
2-(4-fluorophenoxy)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide
CID 91781314
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 91771631
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]oxane-4-carboxamide
CID 91780833
3-[[(3-chloro-2-pyridinyl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol
CID 91828945
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-pyridin-3-ylacetamide
CID 91764411
1-(furan-2-ylmethyl)-3-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]urea
CID 91773609
2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide
CID 91791060
1-cyclopropyl-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide
CID 91771002
1-N'-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]cyclopropane-1,1-dicarboxamide
CID 91771585

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-ylpropanamide (CID 91773302) is N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-ylpropanamide is Cn1cc(C(NC(=O)CCc2cccnc2)C2CC(O)C2)cn1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-ylpropanamide?
The InChIKey is XTAFDVBTDKRXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-21-11-14(10-19-21)17(13-7-15(22)8-13)20-16(23)5-4-12-3-2-6-18-9-12/h2-3,6,9-11,13,15,17,22H,4-5,7-8H2,1H3,(H,20,23).
What are the key properties of N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-ylpropanamide?
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-ylpropanamide has a molecular weight of 314.39 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 91773302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).