N-cyclopropyl-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide

C15H18N4O3 — CID 109078616

IUPACN-cyclopropyl-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
SMILESO=CN1CCN(C(=O)c2ccnc(C(=O)NC3CC3)c2)CC1
InChIInChI=1S/C15H18N4O3/c20-10-18-5-7-19(8-6-18)15(22)11-3-4-16-13(9-11)14(21)17-12-1-2-12/h3-4,9-10,12H,1-2,5-8H2,(H,17,21)
InChIKeyFNHMIQKJJWTNSY-UHFFFAOYSA-N
MW302.33 g/mol
LogP-0.11
Rot. Bonds4

About N-cyclopropyl-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide

N-cyclopropyl-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide (PubChem CID 109078616) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-cyclopropyl-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
PubChem CID109078616
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-cyclopropyl-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
SMILESO=CN1CCN(C(=O)c2ccnc(C(=O)NC3CC3)c2)CC1
InChIInChI=1S/C15H18N4O3/c20-10-18-5-7-19(8-6-18)15(22)11-3-4-16-13(9-11)14(21)17-12-1-2-12/h3-4,9-10,12H,1-2,5-8H2,(H,17,21)
InChIKeyFNHMIQKJJWTNSY-UHFFFAOYSA-N
XLogP-0.11
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109078421
N-cyclopentyl-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109080701
N-cyclohexyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080315
4-(4-formylpiperazine-1-carbonyl)-N-pentylpyridine-2-carboxamide
CID 109084669
4-[4-(cyclopropylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109201896
N-(2-chlorophenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084701
4-(4-formylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109084664
N-cyclopropyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109078658
4-(4-formylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109084711
N-[4-(dimethylamino)phenyl]-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084727
N-cyclopentyl-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109080925
2-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-4-carboxamide
CID 109078029

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide (CID 109078616) is N-cyclopropyl-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide is O=CN1CCN(C(=O)c2ccnc(C(=O)NC3CC3)c2)CC1.
What is the InChIKey of N-cyclopropyl-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is FNHMIQKJJWTNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c20-10-18-5-7-19(8-6-18)15(22)11-3-4-16-13(9-11)14(21)17-12-1-2-12/h3-4,9-10,12H,1-2,5-8H2,(H,17,21).
What are the key properties of N-cyclopropyl-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide?
N-cyclopropyl-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide has a molecular weight of 302.33 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109078616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).