6-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide

C16H25N5O — CID 120898559

IUPAC6-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESCC1(CN2CCN(c3ccc(C(N)=O)cn3)CC2)CCNC1
InChIInChI=1S/C16H25N5O/c1-16(4-5-18-11-16)12-20-6-8-21(9-7-20)14-3-2-13(10-19-14)15(17)22/h2-3,10,18H,4-9,11-12H2,1H3,(H2,17,22)
InChIKeyNNYFNGORGXETDR-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.30
Rot. Bonds4

About 6-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide

6-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 120898559) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 6-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide
PubChem CID120898559
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name6-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESCC1(CN2CCN(c3ccc(C(N)=O)cn3)CC2)CCNC1
InChIInChI=1S/C16H25N5O/c1-16(4-5-18-11-16)12-20-6-8-21(9-7-20)14-3-2-13(10-19-14)15(17)22/h2-3,10,18H,4-9,11-12H2,1H3,(H2,17,22)
InChIKeyNNYFNGORGXETDR-UHFFFAOYSA-N
XLogP0.30
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide (CID 120898559) is 6-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide is CC1(CN2CCN(c3ccc(C(N)=O)cn3)CC2)CCNC1.
What is the InChIKey of 6-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is NNYFNGORGXETDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-16(4-5-18-11-16)12-20-6-8-21(9-7-20)14-3-2-13(10-19-14)15(17)22/h2-3,10,18H,4-9,11-12H2,1H3,(H2,17,22).
What are the key properties of 6-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide?
6-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 120898559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).