N-butan-2-yl-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-3-carboxamide

C22H28N4O3 — CID 109102368

IUPACN-butan-2-yl-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cncc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1
InChIInChI=1S/C22H28N4O3/c1-4-16(2)24-21(27)17-13-18(15-23-14-17)22(28)26-11-9-25(10-12-26)19-5-7-20(29-3)8-6-19/h5-8,13-16H,4,9-12H2,1-3H3,(H,24,27)
InChIKeyBKXOGUXDRQGIFV-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.58
Rot. Bonds6

About N-butan-2-yl-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-3-carboxamide

N-butan-2-yl-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-3-carboxamide (PubChem CID 109102368) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-butan-2-yl-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
PubChem CID109102368
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-butan-2-yl-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cncc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1
InChIInChI=1S/C22H28N4O3/c1-4-16(2)24-21(27)17-13-18(15-23-14-17)22(28)26-11-9-25(10-12-26)19-5-7-20(29-3)8-6-19/h5-8,13-16H,4,9-12H2,1-3H3,(H,24,27)
InChIKeyBKXOGUXDRQGIFV-UHFFFAOYSA-N
XLogP2.58
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109080205
5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide
CID 109223246
N-butan-2-yl-6-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109094649
N-butan-2-yl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109102347
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide
CID 109043150
[4-(4-methoxyphenyl)piperazin-1-yl]-[5-(3-methoxypropylamino)-3-pyridinyl]methanone
CID 109228260
ethyl 4-[5-(butan-2-ylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109225171
N-butan-2-yl-3-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109051475
N-butan-2-yl-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108941820
5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109103429
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092
N-butan-2-yl-5-morpholin-4-ylpyridine-3-carboxamide
CID 109225123

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-3-carboxamide?
The IUPAC name of N-butan-2-yl-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-3-carboxamide (CID 109102368) is N-butan-2-yl-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-3-carboxamide is CCC(C)NC(=O)c1cncc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1.
What is the InChIKey of N-butan-2-yl-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-3-carboxamide?
The InChIKey is BKXOGUXDRQGIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-4-16(2)24-21(27)17-13-18(15-23-14-17)22(28)26-11-9-25(10-12-26)19-5-7-20(29-3)8-6-19/h5-8,13-16H,4,9-12H2,1-3H3,(H,24,27).
What are the key properties of N-butan-2-yl-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-3-carboxamide?
N-butan-2-yl-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-3-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-3-carboxamide is sourced from PubChem (CID 109102368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).