N-(3-aminopiperidin-4-yl)-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide

C11H16Cl2N4O — CID 141206058

IUPACN-(3-aminopiperidin-4-yl)-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide
SMILESCc1[nH]c(C(=O)NC2CCNCC2N)c(Cl)c1Cl
InChIInChI=1S/C11H16Cl2N4O/c1-5-8(12)9(13)10(16-5)11(18)17-7-2-3-15-4-6(7)14/h6-7,15-16H,2-4,14H2,1H3,(H,17,18)
InChIKeyVXPVIRSCRRAYDJ-UHFFFAOYSA-N
MW291.18 g/mol
LogP1.05
Rot. Bonds2

About N-(3-aminopiperidin-4-yl)-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide

N-(3-aminopiperidin-4-yl)-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide (PubChem CID 141206058) has the molecular formula C11H16Cl2N4O and a molecular weight of 291.18 g/mol. Its IUPAC name is N-(3-aminopiperidin-4-yl)-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminopiperidin-4-yl)-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide
PubChem CID141206058
Molecular FormulaC11H16Cl2N4O
Molecular Weight291.18 g/mol
Exact Mass290.07
IUPAC NameN-(3-aminopiperidin-4-yl)-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide
SMILESCc1[nH]c(C(=O)NC2CCNCC2N)c(Cl)c1Cl
InChIInChI=1S/C11H16Cl2N4O/c1-5-8(12)9(13)10(16-5)11(18)17-7-2-3-15-4-6(7)14/h6-7,15-16H,2-4,14H2,1H3,(H,17,18)
InChIKeyVXPVIRSCRRAYDJ-UHFFFAOYSA-N
XLogP1.05
TPSA82.94 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 51.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopiperidin-4-yl)-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(3-aminopiperidin-4-yl)-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide (CID 141206058) is N-(3-aminopiperidin-4-yl)-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(3-aminopiperidin-4-yl)-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(3-aminopiperidin-4-yl)-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide is Cc1[nH]c(C(=O)NC2CCNCC2N)c(Cl)c1Cl.
What is the InChIKey of N-(3-aminopiperidin-4-yl)-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is VXPVIRSCRRAYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N4O/c1-5-8(12)9(13)10(16-5)11(18)17-7-2-3-15-4-6(7)14/h6-7,15-16H,2-4,14H2,1H3,(H,17,18).
What are the key properties of N-(3-aminopiperidin-4-yl)-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide?
N-(3-aminopiperidin-4-yl)-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 291.18 g/mol, XLogP of 1.05, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopiperidin-4-yl)-3,4-dichloro-5-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 141206058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).