4-(5-methyl-2-pyridinyl)piperidine-1-carboximidamide;2-(2H-tetrazol-5-ylmethyl)pentanoic acid

C19H30N8O2 — CID 144957587

IUPAC4-(5-methyl-2-pyridinyl)piperidine-1-carboximidamide;2-(2H-tetrazol-5-ylmethyl)pentanoic acid
SMILESCCCC(Cc1nn[nH]n1)C(=O)O.[H]/N=C(\N)N1CCC(c2ccc(C)cn2)CC1
InChIInChI=1S/C12H18N4.C7H12N4O2/c1-9-2-3-11(15-8-9)10-4-6-16(7-5-10)12(13)14;1-2-3-5(7(12)13)4-6-8-10-11-9-6/h2-3,8,10H,4-7H2,1H3,(H3,13,14);5H,2-4H2,1H3,(H,12,13)(H,8,9,10,11)
InChIKeyRBVYJTDNTWFTOS-UHFFFAOYSA-N
MW402.50 g/mol
LogP1.71
Rot. Bonds6

About 4-(5-methyl-2-pyridinyl)piperidine-1-carboximidamide;2-(2H-tetrazol-5-ylmethyl)pentanoic acid

4-(5-methyl-2-pyridinyl)piperidine-1-carboximidamide;2-(2H-tetrazol-5-ylmethyl)pentanoic acid (PubChem CID 144957587) has the molecular formula C19H30N8O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 4-(5-methyl-2-pyridinyl)piperidine-1-carboximidamide;2-(2H-tetrazol-5-ylmethyl)pentanoic acid.

Molecular Properties

Compound Name4-(5-methyl-2-pyridinyl)piperidine-1-carboximidamide;2-(2H-tetrazol-5-ylmethyl)pentanoic acid
PubChem CID144957587
Molecular FormulaC19H30N8O2
Molecular Weight402.50 g/mol
Exact Mass402.25
IUPAC Name4-(5-methyl-2-pyridinyl)piperidine-1-carboximidamide;2-(2H-tetrazol-5-ylmethyl)pentanoic acid
SMILESCCCC(Cc1nn[nH]n1)C(=O)O.[H]/N=C(\N)N1CCC(c2ccc(C)cn2)CC1
InChIInChI=1S/C12H18N4.C7H12N4O2/c1-9-2-3-11(15-8-9)10-4-6-16(7-5-10)12(13)14;1-2-3-5(7(12)13)4-6-8-10-11-9-6/h2-3,8,10H,4-7H2,1H3,(H3,13,14);5H,2-4H2,1H3,(H,12,13)(H,8,9,10,11)
InChIKeyRBVYJTDNTWFTOS-UHFFFAOYSA-N
XLogP1.71
TPSA157.76 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 51.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-2-pyridinyl)piperidine-1-carboximidamide;2-(2H-tetrazol-5-ylmethyl)pentanoic acid?
The IUPAC name of 4-(5-methyl-2-pyridinyl)piperidine-1-carboximidamide;2-(2H-tetrazol-5-ylmethyl)pentanoic acid (CID 144957587) is 4-(5-methyl-2-pyridinyl)piperidine-1-carboximidamide;2-(2H-tetrazol-5-ylmethyl)pentanoic acid.
What is the SMILES notation for 4-(5-methyl-2-pyridinyl)piperidine-1-carboximidamide;2-(2H-tetrazol-5-ylmethyl)pentanoic acid?
The canonical SMILES for 4-(5-methyl-2-pyridinyl)piperidine-1-carboximidamide;2-(2H-tetrazol-5-ylmethyl)pentanoic acid is CCCC(Cc1nn[nH]n1)C(=O)O.[H]/N=C(\N)N1CCC(c2ccc(C)cn2)CC1.
What is the InChIKey of 4-(5-methyl-2-pyridinyl)piperidine-1-carboximidamide;2-(2H-tetrazol-5-ylmethyl)pentanoic acid?
The InChIKey is RBVYJTDNTWFTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4.C7H12N4O2/c1-9-2-3-11(15-8-9)10-4-6-16(7-5-10)12(13)14;1-2-3-5(7(12)13)4-6-8-10-11-9-6/h2-3,8,10H,4-7H2,1H3,(H3,13,14);5H,2-4H2,1H3,(H,12,13)(H,8,9,10,11).
What are the key properties of 4-(5-methyl-2-pyridinyl)piperidine-1-carboximidamide;2-(2H-tetrazol-5-ylmethyl)pentanoic acid?
4-(5-methyl-2-pyridinyl)piperidine-1-carboximidamide;2-(2H-tetrazol-5-ylmethyl)pentanoic acid has a molecular weight of 402.50 g/mol, XLogP of 1.71, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-2-pyridinyl)piperidine-1-carboximidamide;2-(2H-tetrazol-5-ylmethyl)pentanoic acid is sourced from PubChem (CID 144957587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).