3-amino-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide

C19H28N4O — CID 119901353

IUPAC3-amino-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)NC1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C19H28N4O/c20-18-14-5-4-13(11-14)17(18)19(24)22-15-6-9-23(10-7-15)12-16-3-1-2-8-21-16/h1-3,8,13-15,17-18H,4-7,9-12,20H2,(H,22,24)
InChIKeyQEPIYSWGBLQRCM-UHFFFAOYSA-N
MW328.46 g/mol
LogP1.54
Rot. Bonds4

About 3-amino-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119901353) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 3-amino-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119901353
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name3-amino-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)NC1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C19H28N4O/c20-18-14-5-4-13(11-14)17(18)19(24)22-15-6-9-23(10-7-15)12-16-3-1-2-8-21-16/h1-3,8,13-15,17-18H,4-7,9-12,20H2,(H,22,24)
InChIKeyQEPIYSWGBLQRCM-UHFFFAOYSA-N
XLogP1.54
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Related Compounds

N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride
CID 174440638
3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119857377
2-(cyclopropylmethylamino)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide
CID 119901369
1-cyclopentyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiourea
CID 100572605
3-amino-N-(1-propylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119834897
4-(4-methylpiperidin-1-yl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 46977137
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
CID 51087555
4-propan-2-ylsulfonyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55858737
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidine-4-carboxamide
CID 55859758
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 122132422
2-benzamido-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55858991

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119901353) is 3-amino-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide is NC1C2CCC(C2)C1C(=O)NC1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 3-amino-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is QEPIYSWGBLQRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c20-18-14-5-4-13(11-14)17(18)19(24)22-15-6-9-23(10-7-15)12-16-3-1-2-8-21-16/h1-3,8,13-15,17-18H,4-7,9-12,20H2,(H,22,24).
What are the key properties of 3-amino-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119901353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).