N'-(4-methoxypyrimidin-2-yl)-2-piperidin-1-ylpyridine-3-carbohydrazide

C16H20N6O2 — CID 60545434

IUPACN'-(4-methoxypyrimidin-2-yl)-2-piperidin-1-ylpyridine-3-carbohydrazide
SMILESCOc1ccnc(NNC(=O)c2cccnc2N2CCCCC2)n1
InChIInChI=1S/C16H20N6O2/c1-24-13-7-9-18-16(19-13)21-20-15(23)12-6-5-8-17-14(12)22-10-3-2-4-11-22/h5-9H,2-4,10-11H2,1H3,(H,20,23)(H,18,19,21)
InChIKeyDNASBRICKQGWQT-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.63
Rot. Bonds5

About N'-(4-methoxypyrimidin-2-yl)-2-piperidin-1-ylpyridine-3-carbohydrazide

N'-(4-methoxypyrimidin-2-yl)-2-piperidin-1-ylpyridine-3-carbohydrazide (PubChem CID 60545434) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is N'-(4-methoxypyrimidin-2-yl)-2-piperidin-1-ylpyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-methoxypyrimidin-2-yl)-2-piperidin-1-ylpyridine-3-carbohydrazide
PubChem CID60545434
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC NameN'-(4-methoxypyrimidin-2-yl)-2-piperidin-1-ylpyridine-3-carbohydrazide
SMILESCOc1ccnc(NNC(=O)c2cccnc2N2CCCCC2)n1
InChIInChI=1S/C16H20N6O2/c1-24-13-7-9-18-16(19-13)21-20-15(23)12-6-5-8-17-14(12)22-10-3-2-4-11-22/h5-9H,2-4,10-11H2,1H3,(H,20,23)(H,18,19,21)
InChIKeyDNASBRICKQGWQT-UHFFFAOYSA-N
XLogP1.63
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 47231439
2-[(4-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone
CID 113224733
3-bromo-N'-(4-methoxypyrimidin-2-yl)-1H-indole-2-carbohydrazide
CID 55913073
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
N-[2-(2-methoxyphenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 55757606
N-(2-methoxy-5-methyl-3-pyridinyl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 122144270
2-piperidin-1-yl-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 84575233
2-pyrrolidin-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 17482313
N-(5-chloro-2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 39964617
2-(azepan-1-yl)-N-(2-chlorophenyl)pyridine-3-carboxamide
CID 84576263
N-(2-aminoethyl)-2-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 119383900
1-(3-chlorophenyl)-N'-(4-methoxypyrimidin-2-yl)cyclohexane-1-carbohydrazide
CID 60545549

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxypyrimidin-2-yl)-2-piperidin-1-ylpyridine-3-carbohydrazide?
The IUPAC name of N'-(4-methoxypyrimidin-2-yl)-2-piperidin-1-ylpyridine-3-carbohydrazide (CID 60545434) is N'-(4-methoxypyrimidin-2-yl)-2-piperidin-1-ylpyridine-3-carbohydrazide.
What is the SMILES notation for N'-(4-methoxypyrimidin-2-yl)-2-piperidin-1-ylpyridine-3-carbohydrazide?
The canonical SMILES for N'-(4-methoxypyrimidin-2-yl)-2-piperidin-1-ylpyridine-3-carbohydrazide is COc1ccnc(NNC(=O)c2cccnc2N2CCCCC2)n1.
What is the InChIKey of N'-(4-methoxypyrimidin-2-yl)-2-piperidin-1-ylpyridine-3-carbohydrazide?
The InChIKey is DNASBRICKQGWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-24-13-7-9-18-16(19-13)21-20-15(23)12-6-5-8-17-14(12)22-10-3-2-4-11-22/h5-9H,2-4,10-11H2,1H3,(H,20,23)(H,18,19,21).
What are the key properties of N'-(4-methoxypyrimidin-2-yl)-2-piperidin-1-ylpyridine-3-carbohydrazide?
N'-(4-methoxypyrimidin-2-yl)-2-piperidin-1-ylpyridine-3-carbohydrazide has a molecular weight of 328.38 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxypyrimidin-2-yl)-2-piperidin-1-ylpyridine-3-carbohydrazide is sourced from PubChem (CID 60545434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).