4-amino-N,N-bis[(6-methyl-2-pyridinyl)methyl]pentanamide;trihydrochloride

C19H29Cl3N4O — CID 120566072

IUPAC4-amino-N,N-bis[(6-methyl-2-pyridinyl)methyl]pentanamide;trihydrochloride
SMILESCc1cccc(CN(Cc2cccc(C)n2)C(=O)CCC(C)N)n1.Cl.Cl.Cl
InChIInChI=1S/C19H26N4O.3ClH/c1-14(20)10-11-19(24)23(12-17-8-4-6-15(2)21-17)13-18-9-5-7-16(3)22-18;;;/h4-9,14H,10-13,20H2,1-3H3;3*1H
InChIKeySQGVUNAAYRVGLW-UHFFFAOYSA-N
MW435.83 g/mol
LogP4.02
Rot. Bonds7

About 4-amino-N,N-bis[(6-methyl-2-pyridinyl)methyl]pentanamide;trihydrochloride

4-amino-N,N-bis[(6-methyl-2-pyridinyl)methyl]pentanamide;trihydrochloride (PubChem CID 120566072) has the molecular formula C19H29Cl3N4O and a molecular weight of 435.83 g/mol. Its IUPAC name is 4-amino-N,N-bis[(6-methyl-2-pyridinyl)methyl]pentanamide;trihydrochloride.

Molecular Properties

Compound Name4-amino-N,N-bis[(6-methyl-2-pyridinyl)methyl]pentanamide;trihydrochloride
PubChem CID120566072
Molecular FormulaC19H29Cl3N4O
Molecular Weight435.83 g/mol
Exact Mass434.14
IUPAC Name4-amino-N,N-bis[(6-methyl-2-pyridinyl)methyl]pentanamide;trihydrochloride
SMILESCc1cccc(CN(Cc2cccc(C)n2)C(=O)CCC(C)N)n1.Cl.Cl.Cl
InChIInChI=1S/C19H26N4O.3ClH/c1-14(20)10-11-19(24)23(12-17-8-4-6-15(2)21-17)13-18-9-5-7-16(3)22-18;;;/h4-9,14H,10-13,20H2,1-3H3;3*1H
InChIKeySQGVUNAAYRVGLW-UHFFFAOYSA-N
XLogP4.02
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.83
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pentanamide
CID 113267614
2-amino-N-methyl-2-(4-methylphenyl)-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 106151730
2-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetic acid
CID 79261215
4-[(6-methyl-2-pyridinyl)methylsulfonyl]butan-2-amine
CID 81194020
3-amino-N-ethyl-2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 114145142
(2S)-1-(6-methyl-2-pyridinyl)propane-2-sulfonamide
CID 145191448
5-amino-N-(6-methyl-2-pyridinyl)hexanamide
CID 82849039
ethyl 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pentanoate
CID 82838965
4-amino-N-[(2,6-difluorophenyl)methyl]-N-ethylpentanamide;hydrochloride
CID 120562001
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 23402951
2-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]ethanol
CID 79261151
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-N-propan-2-ylpropan-1-amine
CID 23588532

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-bis[(6-methyl-2-pyridinyl)methyl]pentanamide;trihydrochloride?
The IUPAC name of 4-amino-N,N-bis[(6-methyl-2-pyridinyl)methyl]pentanamide;trihydrochloride (CID 120566072) is 4-amino-N,N-bis[(6-methyl-2-pyridinyl)methyl]pentanamide;trihydrochloride.
What is the SMILES notation for 4-amino-N,N-bis[(6-methyl-2-pyridinyl)methyl]pentanamide;trihydrochloride?
The canonical SMILES for 4-amino-N,N-bis[(6-methyl-2-pyridinyl)methyl]pentanamide;trihydrochloride is Cc1cccc(CN(Cc2cccc(C)n2)C(=O)CCC(C)N)n1.Cl.Cl.Cl.
What is the InChIKey of 4-amino-N,N-bis[(6-methyl-2-pyridinyl)methyl]pentanamide;trihydrochloride?
The InChIKey is SQGVUNAAYRVGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O.3ClH/c1-14(20)10-11-19(24)23(12-17-8-4-6-15(2)21-17)13-18-9-5-7-16(3)22-18;;;/h4-9,14H,10-13,20H2,1-3H3;3*1H.
What are the key properties of 4-amino-N,N-bis[(6-methyl-2-pyridinyl)methyl]pentanamide;trihydrochloride?
4-amino-N,N-bis[(6-methyl-2-pyridinyl)methyl]pentanamide;trihydrochloride has a molecular weight of 435.83 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-bis[(6-methyl-2-pyridinyl)methyl]pentanamide;trihydrochloride is sourced from PubChem (CID 120566072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).