N-[2-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide

C20H27N5O3 — CID 24793984

IUPACN-[2-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
SMILESCOc1ncccc1C(=O)N1CCC(n2nccc2NC(=O)CC(C)C)CC1
InChIInChI=1S/C20H27N5O3/c1-14(2)13-18(26)23-17-6-10-22-25(17)15-7-11-24(12-8-15)20(27)16-5-4-9-21-19(16)28-3/h4-6,9-10,14-15H,7-8,11-13H2,1-3H3,(H,23,26)
InChIKeyDXUAQXPTDVNXNZ-UHFFFAOYSA-N
MW385.47 g/mol
LogP2.75
Rot. Bonds6

About N-[2-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide

N-[2-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide (PubChem CID 24793984) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[2-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
PubChem CID24793984
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC NameN-[2-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
SMILESCOc1ncccc1C(=O)N1CCC(n2nccc2NC(=O)CC(C)C)CC1
InChIInChI=1S/C20H27N5O3/c1-14(2)13-18(26)23-17-6-10-22-25(17)15-7-11-24(12-8-15)20(27)16-5-4-9-21-19(16)28-3/h4-6,9-10,14-15H,7-8,11-13H2,1-3H3,(H,23,26)
InChIKeyDXUAQXPTDVNXNZ-UHFFFAOYSA-N
XLogP2.75
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ask1-IN-6
CID 153384510
2-methoxy-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-yl]pyridine-3-carboxamide
CID 153384514
N-(4-methoxyphenyl)-6-(1H-pyrazol-1-yl)nicotinamide
CID 3792007
N-(2-methoxyphenyl)-6-(1H-pyrazol-1-yl)nicotinamide
CID 4298774
trans-1-cyclopentyl-6-(1-((6-methoxypyridin-3-yl)methyl)-4-methylpyrrolidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135860091
2-methoxy-5-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide
CID 153384518
N-(3-methoxyphenyl)-6-(1H-pyrazol-1-yl)nicotinamide
CID 4298773
N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
CID 24791138
4-methoxy-N-{1-[1-(4-pyridinylmethyl)-4-piperidinyl]-1H-pyrazol-5-yl}benzamide
CID 24817226
Tert-butyl 4-[4-carbamoyl-3-[(2-methoxy-4-pyridinyl)amino]pyrazol-1-yl]-4-(cyanomethyl)piperidine-1-carboxylate
CID 89473641
Tert-butyl 4-[4-carbamoyl-3-[(6-methoxy-2-pyridinyl)amino]pyrazol-1-yl]-4-(cyanomethyl)piperidine-1-carboxylate
CID 89473667
US11098060, Example 6
CID 137548237

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide?
The IUPAC name of N-[2-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide (CID 24793984) is N-[2-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide.
What is the SMILES notation for N-[2-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide?
The canonical SMILES for N-[2-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide is COc1ncccc1C(=O)N1CCC(n2nccc2NC(=O)CC(C)C)CC1.
What is the InChIKey of N-[2-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide?
The InChIKey is DXUAQXPTDVNXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-14(2)13-18(26)23-17-6-10-22-25(17)15-7-11-24(12-8-15)20(27)16-5-4-9-21-19(16)28-3/h4-6,9-10,14-15H,7-8,11-13H2,1-3H3,(H,23,26).
What are the key properties of N-[2-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide?
N-[2-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide has a molecular weight of 385.47 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide is sourced from PubChem (CID 24793984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).