4-tert-butyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperazine-1-carboxamide

C18H26N6O — CID 167767382

IUPAC4-tert-butyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperazine-1-carboxamide
SMILESCn1cc(-c2ccnc(NC(=O)N3CCN(C(C)(C)C)CC3)c2)cn1
InChIInChI=1S/C18H26N6O/c1-18(2,3)24-9-7-23(8-10-24)17(25)21-16-11-14(5-6-19-16)15-12-20-22(4)13-15/h5-6,11-13H,7-10H2,1-4H3,(H,19,21,25)
InChIKeyWTNBHSMQBIGUQC-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.43
Rot. Bonds2

About 4-tert-butyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperazine-1-carboxamide

4-tert-butyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 167767382) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperazine-1-carboxamide
PubChem CID167767382
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name4-tert-butyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperazine-1-carboxamide
SMILESCn1cc(-c2ccnc(NC(=O)N3CCN(C(C)(C)C)CC3)c2)cn1
InChIInChI=1S/C18H26N6O/c1-18(2,3)24-9-7-23(8-10-24)17(25)21-16-11-14(5-6-19-16)15-12-20-22(4)13-15/h5-6,11-13H,7-10H2,1-4H3,(H,19,21,25)
InChIKeyWTNBHSMQBIGUQC-UHFFFAOYSA-N
XLogP2.43
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(dimethylamino)-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-1-carboxamide
CID 167854454
4-methyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]-4-piperidin-1-ylpiperidine-1-carboxamide
CID 167945884
4-(2,2-dimethylpropyl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]piperazine-1-carboxamide
CID 135251253
N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrrolidine-1-carboxamide
CID 168793398
1-cyclopropyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide
CID 167816356
N-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-4-methylpiperazine-1-carboxamide
CID 172851605
1-(2,2-difluoroethyl)-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-3-carboxamide
CID 167842832
N-(4-methyl-2-pyridinyl)azepane-1-carboxamide
CID 127514123
(Z)-4-methyl-3-[[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]amino]-4-pyrrolidin-1-ylpent-2-ene-1-thiol
CID 166954545
1-(1-tert-butylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 158989738
N-(4-bromo-2-pyridinyl)piperidine-1-carboxamide
CID 102820657
N-[4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-pyridinyl]-2-[3-(1-methylpyrazol-4-yl)phenyl]acetamide
CID 139327424

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperazine-1-carboxamide (CID 167767382) is 4-tert-butyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperazine-1-carboxamide is Cn1cc(-c2ccnc(NC(=O)N3CCN(C(C)(C)C)CC3)c2)cn1.
What is the InChIKey of 4-tert-butyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperazine-1-carboxamide?
The InChIKey is WTNBHSMQBIGUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-18(2,3)24-9-7-23(8-10-24)17(25)21-16-11-14(5-6-19-16)15-12-20-22(4)13-15/h5-6,11-13H,7-10H2,1-4H3,(H,19,21,25).
What are the key properties of 4-tert-butyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperazine-1-carboxamide?
4-tert-butyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 342.45 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 167767382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).