4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidine-1-carbohydrazide

C20H28N6O — CID 58997019

IUPAC4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidine-1-carbohydrazide
SMILESCc1cccnc1CN(Cc1ncccc1C)C1CCN(C(=O)NN)CC1
InChIInChI=1S/C20H28N6O/c1-15-5-3-9-22-18(15)13-26(14-19-16(2)6-4-10-23-19)17-7-11-25(12-8-17)20(27)24-21/h3-6,9-10,17H,7-8,11-14,21H2,1-2H3,(H,24,27)
InChIKeyJPWSEEPGAPLRSS-UHFFFAOYSA-N
MW368.49 g/mol
LogP2.14
Rot. Bonds5

About 4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidine-1-carbohydrazide

4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidine-1-carbohydrazide (PubChem CID 58997019) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is 4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidine-1-carbohydrazide.

Molecular Properties

Compound Name4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidine-1-carbohydrazide
PubChem CID58997019
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidine-1-carbohydrazide
SMILESCc1cccnc1CN(Cc1ncccc1C)C1CCN(C(=O)NN)CC1
InChIInChI=1S/C20H28N6O/c1-15-5-3-9-22-18(15)13-26(14-19-16(2)6-4-10-23-19)17-7-11-25(12-8-17)20(27)24-21/h3-6,9-10,17H,7-8,11-14,21H2,1-2H3,(H,24,27)
InChIKeyJPWSEEPGAPLRSS-UHFFFAOYSA-N
XLogP2.14
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-benzimidazol-2-yl)-4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidine-1-carboxamide
CID 58996943
[4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidin-1-yl]-isoquinolin-3-ylmethanone
CID 58997033
[4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidin-1-yl]-imidazol-1-ylmethanone
CID 67271869
2-[(3-methyl-2-pyridinyl)methyl-piperidin-4-ylamino]acetamide
CID 112650951
4-[(3,5-dimethyl-2-pyridinyl)methyl-[(3-propan-2-yl-2-pyridinyl)methyl]amino]-N-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 58997168
4-[(5-chloro-3-methyl-2-pyridinyl)methyl-[(3-propan-2-yl-2-pyridinyl)methyl]amino]piperidine-1-carboxylic acid
CID 69294815
tert-butyl 4-[[bis[(3-methyl-2-pyridinyl)methyl]amino]methyl]piperidine-1-carboxylate
CID 67271625
N-[(3-methyl-2-pyridinyl)methyl]-N-propylpiperidin-4-amine
CID 112650950
3-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide
CID 113232203
N,N-dimethyl-1-(3-methyl-2-pyridinyl)methanamine
CID 20666322
3-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide
CID 111104361
4-[(5-chloro-3-methyl-2-pyridinyl)methyl-(isoquinolin-1-ylmethyl)amino]-N-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 58996992

Frequently Asked Questions

What is the IUPAC name of 4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidine-1-carbohydrazide?
The IUPAC name of 4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidine-1-carbohydrazide (CID 58997019) is 4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidine-1-carbohydrazide.
What is the SMILES notation for 4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidine-1-carbohydrazide?
The canonical SMILES for 4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidine-1-carbohydrazide is Cc1cccnc1CN(Cc1ncccc1C)C1CCN(C(=O)NN)CC1.
What is the InChIKey of 4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidine-1-carbohydrazide?
The InChIKey is JPWSEEPGAPLRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-15-5-3-9-22-18(15)13-26(14-19-16(2)6-4-10-23-19)17-7-11-25(12-8-17)20(27)24-21/h3-6,9-10,17H,7-8,11-14,21H2,1-2H3,(H,24,27).
What are the key properties of 4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidine-1-carbohydrazide?
4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidine-1-carbohydrazide has a molecular weight of 368.49 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidine-1-carbohydrazide is sourced from PubChem (CID 58997019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).