4-(methylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide;dihydrochloride

C14H21Cl2N5O — CID 119847732

IUPAC4-(methylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide;dihydrochloride
SMILESCNCCCC(=O)Nc1cccnc1-n1ccnc1C.Cl.Cl
InChIInChI=1S/C14H19N5O.2ClH/c1-11-16-9-10-19(11)14-12(5-3-8-17-14)18-13(20)6-4-7-15-2;;/h3,5,8-10,15H,4,6-7H2,1-2H3,(H,18,20);2*1H
InChIKeyMZHNYIIMZCMQDX-UHFFFAOYSA-N
MW346.26 g/mol
LogP2.36
Rot. Bonds6

About 4-(methylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide;dihydrochloride

4-(methylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide;dihydrochloride (PubChem CID 119847732) has the molecular formula C14H21Cl2N5O and a molecular weight of 346.26 g/mol. Its IUPAC name is 4-(methylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide;dihydrochloride
PubChem CID119847732
Molecular FormulaC14H21Cl2N5O
Molecular Weight346.26 g/mol
Exact Mass345.11
IUPAC Name4-(methylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide;dihydrochloride
SMILESCNCCCC(=O)Nc1cccnc1-n1ccnc1C.Cl.Cl
InChIInChI=1S/C14H19N5O.2ClH/c1-11-16-9-10-19(11)14-12(5-3-8-17-14)18-13(20)6-4-7-15-2;;/h3,5,8-10,15H,4,6-7H2,1-2H3,(H,18,20);2*1H
InChIKeyMZHNYIIMZCMQDX-UHFFFAOYSA-N
XLogP2.36
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 52.36
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

5-hydroxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide
CID 79199243
2-(methylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 54861926
3-chloro-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]propanamide
CID 54867331
4-ethoxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide
CID 51093015
4-hydroxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide
CID 79203902
N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 47254863
3-amino-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide
CID 54861937
2-(cyclopropylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 60927836
N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 75479273
2-(2-aminoethoxy)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 79474016
3-(aminomethyl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide
CID 81070893
2-(2-fluorophenoxy)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 51092996

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide;dihydrochloride?
The IUPAC name of 4-(methylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide;dihydrochloride (CID 119847732) is 4-(methylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide;dihydrochloride.
What is the SMILES notation for 4-(methylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide;dihydrochloride?
The canonical SMILES for 4-(methylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide;dihydrochloride is CNCCCC(=O)Nc1cccnc1-n1ccnc1C.Cl.Cl.
What is the InChIKey of 4-(methylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide;dihydrochloride?
The InChIKey is MZHNYIIMZCMQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O.2ClH/c1-11-16-9-10-19(11)14-12(5-3-8-17-14)18-13(20)6-4-7-15-2;;/h3,5,8-10,15H,4,6-7H2,1-2H3,(H,18,20);2*1H.
What are the key properties of 4-(methylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide;dihydrochloride?
4-(methylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide;dihydrochloride has a molecular weight of 346.26 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide;dihydrochloride is sourced from PubChem (CID 119847732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).