CID 178032891

C15H29BN4O — CID 178032891

IUPAC—
SMILESC[C@H](CN1CCCC1)NC(=O)c1ccnc(CN)c1.[B]C.[H][H].[H][H]
InChIInChI=1S/C14H22N4O.CH3B.2H2/c1-11(10-18-6-2-3-7-18)17-14(19)12-4-5-16-13(8-12)9-15;1-2;;/h4-5,8,11H,2-3,6-7,9-10,15H2,1H3,(H,17,19);1H3;2*1H/t11-;;;/m1.../s1
InChIKeyIBFVNEUFIATSOI-HCEFKKQBSA-N
MW292.24 g/mol
LogP1.45
Rot. Bonds5

About CID 178032891

CID 178032891 (PubChem CID 178032891) has the molecular formula C15H29BN4O and a molecular weight of 292.24 g/mol.

Molecular Properties

Compound NameCID 178032891
PubChem CID178032891
Molecular FormulaC15H29BN4O
Molecular Weight292.24 g/mol
Exact Mass292.24
IUPAC Name—
SMILESC[C@H](CN1CCCC1)NC(=O)c1ccnc(CN)c1.[B]C.[H][H].[H][H]
InChIInChI=1S/C14H22N4O.CH3B.2H2/c1-11(10-18-6-2-3-7-18)17-14(19)12-4-5-16-13(8-12)9-15;1-2;;/h4-5,8,11H,2-3,6-7,9-10,15H2,1H3,(H,17,19);1H3;2*1H/t11-;;;/m1.../s1
InChIKeyIBFVNEUFIATSOI-HCEFKKQBSA-N
XLogP1.45
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 61217354
2-(ethylamino)-N-(1-piperidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 62176247
2-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 114325720
2-(aminomethyl)-N-(4-methoxybutan-2-yl)pyridine-4-carboxamide
CID 113277873
6-amino-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 55041432
3-amino-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride
CID 119851488
4-amino-3-methoxy-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 104782742
3,5-dihydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 107703759
2-(aminomethyl)-N-(3-methylpentan-2-yl)pyridine-4-carboxamide
CID 114326347
N-(1-piperidin-1-ylpropan-2-yl)-3-sulfanylbenzamide
CID 107025389
6-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 66464130
3-iodo-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 54937836

Frequently Asked Questions

What is the IUPAC name of CID 178032891?
The IUPAC name of CID 178032891 (CID 178032891) is not available.
What is the SMILES notation for CID 178032891?
The canonical SMILES for CID 178032891 is C[C@H](CN1CCCC1)NC(=O)c1ccnc(CN)c1.[B]C.[H][H].[H][H].
What is the InChIKey of CID 178032891?
The InChIKey is IBFVNEUFIATSOI-HCEFKKQBSA-N. The full InChI is InChI=1S/C14H22N4O.CH3B.2H2/c1-11(10-18-6-2-3-7-18)17-14(19)12-4-5-16-13(8-12)9-15;1-2;;/h4-5,8,11H,2-3,6-7,9-10,15H2,1H3,(H,17,19);1H3;2*1H/t11-;;;/m1.../s1.
What are the key properties of CID 178032891?
CID 178032891 has a molecular weight of 292.24 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 178032891 is sourced from PubChem (CID 178032891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).