N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide

C20H29N5O2 — CID 44621192

IUPACN-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide
SMILESCOc1cncc(-c2cc(NC(=O)CC(C)(C)CN3CCCCC3)n[nH]2)c1
InChIInChI=1S/C20H29N5O2/c1-20(2,14-25-7-5-4-6-8-25)11-19(26)22-18-10-17(23-24-18)15-9-16(27-3)13-21-12-15/h9-10,12-13H,4-8,11,14H2,1-3H3,(H2,22,23,24,26)
InChIKeyLYXGUOSTVNKQTE-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.32
Rot. Bonds7

About N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide

N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide (PubChem CID 44621192) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide
PubChem CID44621192
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC NameN-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide
SMILESCOc1cncc(-c2cc(NC(=O)CC(C)(C)CN3CCCCC3)n[nH]2)c1
InChIInChI=1S/C20H29N5O2/c1-20(2,14-25-7-5-4-6-8-25)11-19(26)22-18-10-17(23-24-18)15-9-16(27-3)13-21-12-15/h9-10,12-13H,4-8,11,14H2,1-3H3,(H2,22,23,24,26)
InChIKeyLYXGUOSTVNKQTE-UHFFFAOYSA-N
XLogP3.32
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide 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-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
CID 44621198
formic acid;N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 67188676
N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 25029711
4-(azepan-1-yl)-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]butanamide
CID 25029479
2,2-dimethyl-4-pyrrolidin-1-yl-N-(5-quinolin-3-yl-1H-pyrazol-3-yl)butanamide
CID 59333088
4-pyrrolidin-1-yl-N-[5-[3-(trifluoromethoxy)phenyl]-1H-pyrazol-3-yl]butanamide
CID 59173864
N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-4-morpholin-4-ylbutanamide
CID 25029480
N-[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
CID 59174009
N-[5-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 59173768
4-piperidin-1-yl-N-[5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-yl]butanamide
CID 59173772
N-[5-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
CID 59173963
4-pyrrolidin-1-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide
CID 59173832

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide?
The IUPAC name of N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide (CID 44621192) is N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide.
What is the SMILES notation for N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide?
The canonical SMILES for N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide is COc1cncc(-c2cc(NC(=O)CC(C)(C)CN3CCCCC3)n[nH]2)c1.
What is the InChIKey of N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide?
The InChIKey is LYXGUOSTVNKQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-20(2,14-25-7-5-4-6-8-25)11-19(26)22-18-10-17(23-24-18)15-9-16(27-3)13-21-12-15/h9-10,12-13H,4-8,11,14H2,1-3H3,(H2,22,23,24,26).
What are the key properties of N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide?
N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide has a molecular weight of 371.49 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide is sourced from PubChem (CID 44621192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).