N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]pyrrolidine-3-carboxamide;trihydrochloride

C17H30Cl3N5O — CID 119903697

IUPACN-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]pyrrolidine-3-carboxamide;trihydrochloride
SMILESCN(C)C1CCN(c2ccc(NC(=O)C3CCNC3)nc2)CC1.Cl.Cl.Cl
InChIInChI=1S/C17H27N5O.3ClH/c1-21(2)14-6-9-22(10-7-14)15-3-4-16(19-12-15)20-17(23)13-5-8-18-11-13;;;/h3-4,12-14,18H,5-11H2,1-2H3,(H,19,20,23);3*1H
InChIKeyXVXUXPDFRLDXMR-UHFFFAOYSA-N
MW426.82 g/mol
LogP2.43
Rot. Bonds4

About N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]pyrrolidine-3-carboxamide;trihydrochloride

N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]pyrrolidine-3-carboxamide;trihydrochloride (PubChem CID 119903697) has the molecular formula C17H30Cl3N5O and a molecular weight of 426.82 g/mol. Its IUPAC name is N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]pyrrolidine-3-carboxamide;trihydrochloride.

Molecular Properties

Compound NameN-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]pyrrolidine-3-carboxamide;trihydrochloride
PubChem CID119903697
Molecular FormulaC17H30Cl3N5O
Molecular Weight426.82 g/mol
Exact Mass425.15
IUPAC NameN-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]pyrrolidine-3-carboxamide;trihydrochloride
SMILESCN(C)C1CCN(c2ccc(NC(=O)C3CCNC3)nc2)CC1.Cl.Cl.Cl
InChIInChI=1S/C17H27N5O.3ClH/c1-21(2)14-6-9-22(10-7-14)15-3-4-16(19-12-15)20-17(23)13-5-8-18-11-13;;;/h3-4,12-14,18H,5-11H2,1-2H3,(H,19,20,23);3*1H
InChIKeyXVXUXPDFRLDXMR-UHFFFAOYSA-N
XLogP2.43
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.82
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-morpholin-4-yl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 119842040
N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]morpholine-2-carboxamide
CID 119903688
2-amino-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]acetamide;trihydrochloride
CID 119903679
1-amino-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]cyclopentane-1-carboxamide;trihydrochloride
CID 119903665
N-[5-(azepan-1-yl)-2-pyridinyl]cyclobutanecarboxamide
CID 113031088
(2S,5R)-5-(aminomethyl)-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]oxolane-2-carboxamide
CID 120801702
(2S,4S)-2-methyl-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-4-carboxamide;hydrochloride
CID 120632213
N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 167884624
N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]oxane-4-carboxamide
CID 113024875
N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 75420475
N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2-(6-fluoroindol-1-yl)acetamide
CID 166239841
N-(5-piperazin-1-yl-2-pyridinyl)-1-sulfamoylazetidine-3-carboxamide
CID 166394145

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]pyrrolidine-3-carboxamide;trihydrochloride?
The IUPAC name of N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]pyrrolidine-3-carboxamide;trihydrochloride (CID 119903697) is N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]pyrrolidine-3-carboxamide;trihydrochloride.
What is the SMILES notation for N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]pyrrolidine-3-carboxamide;trihydrochloride?
The canonical SMILES for N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]pyrrolidine-3-carboxamide;trihydrochloride is CN(C)C1CCN(c2ccc(NC(=O)C3CCNC3)nc2)CC1.Cl.Cl.Cl.
What is the InChIKey of N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]pyrrolidine-3-carboxamide;trihydrochloride?
The InChIKey is XVXUXPDFRLDXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O.3ClH/c1-21(2)14-6-9-22(10-7-14)15-3-4-16(19-12-15)20-17(23)13-5-8-18-11-13;;;/h3-4,12-14,18H,5-11H2,1-2H3,(H,19,20,23);3*1H.
What are the key properties of N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]pyrrolidine-3-carboxamide;trihydrochloride?
N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]pyrrolidine-3-carboxamide;trihydrochloride has a molecular weight of 426.82 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]pyrrolidine-3-carboxamide;trihydrochloride is sourced from PubChem (CID 119903697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).