N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-4-(methylamino)butanamide;dihydrochloride

C14H21Cl2N5O — CID 119859956

IUPACN-[(2-imidazol-1-yl-4-pyridinyl)methyl]-4-(methylamino)butanamide;dihydrochloride
SMILESCNCCCC(=O)NCc1ccnc(-n2ccnc2)c1.Cl.Cl
InChIInChI=1S/C14H19N5O.2ClH/c1-15-5-2-3-14(20)18-10-12-4-6-17-13(9-12)19-8-7-16-11-19;;/h4,6-9,11,15H,2-3,5,10H2,1H3,(H,18,20);2*1H
InChIKeyGOHQFBBASNFKED-UHFFFAOYSA-N
MW346.26 g/mol
LogP1.73
Rot. Bonds7

About N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-4-(methylamino)butanamide;dihydrochloride

N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-4-(methylamino)butanamide;dihydrochloride (PubChem CID 119859956) has the molecular formula C14H21Cl2N5O and a molecular weight of 346.26 g/mol. Its IUPAC name is N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-4-(methylamino)butanamide;dihydrochloride.

Molecular Properties

Compound NameN-[(2-imidazol-1-yl-4-pyridinyl)methyl]-4-(methylamino)butanamide;dihydrochloride
PubChem CID119859956
Molecular FormulaC14H21Cl2N5O
Molecular Weight346.26 g/mol
Exact Mass345.11
IUPAC NameN-[(2-imidazol-1-yl-4-pyridinyl)methyl]-4-(methylamino)butanamide;dihydrochloride
SMILESCNCCCC(=O)NCc1ccnc(-n2ccnc2)c1.Cl.Cl
InChIInChI=1S/C14H19N5O.2ClH/c1-15-5-2-3-14(20)18-10-12-4-6-17-13(9-12)19-8-7-16-11-19;;/h4,6-9,11,15H,2-3,5,10H2,1H3,(H,18,20);2*1H
InChIKeyGOHQFBBASNFKED-UHFFFAOYSA-N
XLogP1.73
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(methylamino)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride
CID 119846907
4-(methylamino)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]butanamide
CID 119846908
2-hydroxy-N-[3-[(2-imidazol-1-yl-4-pyridinyl)methylamino]-3-oxopropyl]-4-methylbenzamide
CID 134813427
2-(cyclopropylmethylamino)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]acetamide;dihydrochloride
CID 119859974
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]propanamide
CID 47060882
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3,3-diphenylpropanamide
CID 47060911
N-(6-imidazol-1-yl-3-pyridinyl)-4-(methylamino)butanamide;dihydrochloride
CID 119846827
3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-(2-methylpropyl)-1-propan-2-ylurea
CID 136527613
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 136523432
1-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 134813239
1-benzyl-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-methylguanidine
CID 110952946
2-benzo[e][1]benzofuran-1-yl-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]acetamide
CID 47060897

Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-4-(methylamino)butanamide;dihydrochloride?
The IUPAC name of N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-4-(methylamino)butanamide;dihydrochloride (CID 119859956) is N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-4-(methylamino)butanamide;dihydrochloride.
What is the SMILES notation for N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-4-(methylamino)butanamide;dihydrochloride?
The canonical SMILES for N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-4-(methylamino)butanamide;dihydrochloride is CNCCCC(=O)NCc1ccnc(-n2ccnc2)c1.Cl.Cl.
What is the InChIKey of N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-4-(methylamino)butanamide;dihydrochloride?
The InChIKey is GOHQFBBASNFKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O.2ClH/c1-15-5-2-3-14(20)18-10-12-4-6-17-13(9-12)19-8-7-16-11-19;;/h4,6-9,11,15H,2-3,5,10H2,1H3,(H,18,20);2*1H.
What are the key properties of N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-4-(methylamino)butanamide;dihydrochloride?
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-4-(methylamino)butanamide;dihydrochloride has a molecular weight of 346.26 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-4-(methylamino)butanamide;dihydrochloride is sourced from PubChem (CID 119859956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).