N-(pyridin-2-ylmethyl)-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidine-4-carboxamide

C20H28N6O — CID 56900556

IUPACN-(pyridin-2-ylmethyl)-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccn1)C1CCN(Cc2cc3n(n2)CCCNC3)CC1
InChIInChI=1S/C20H28N6O/c27-20(23-13-17-4-1-2-8-22-17)16-5-10-25(11-6-16)15-18-12-19-14-21-7-3-9-26(19)24-18/h1-2,4,8,12,16,21H,3,5-7,9-11,13-15H2,(H,23,27)
InChIKeyXCQIDEFBYCRKJA-UHFFFAOYSA-N
MW368.49 g/mol
LogP1.30
Rot. Bonds5

About N-(pyridin-2-ylmethyl)-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidine-4-carboxamide

N-(pyridin-2-ylmethyl)-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 56900556) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID56900556
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC NameN-(pyridin-2-ylmethyl)-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccn1)C1CCN(Cc2cc3n(n2)CCCNC3)CC1
InChIInChI=1S/C20H28N6O/c27-20(23-13-17-4-1-2-8-22-17)16-5-10-25(11-6-16)15-18-12-19-14-21-7-3-9-26(19)24-18/h1-2,4,8,12,16,21H,3,5-7,9-11,13-15H2,(H,23,27)
InChIKeyXCQIDEFBYCRKJA-UHFFFAOYSA-N
XLogP1.30
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidine-4-carboxamide (CID 56900556) is N-(pyridin-2-ylmethyl)-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidine-4-carboxamide is O=C(NCc1ccccn1)C1CCN(Cc2cc3n(n2)CCCNC3)CC1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is XCQIDEFBYCRKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c27-20(23-13-17-4-1-2-8-22-17)16-5-10-25(11-6-16)15-18-12-19-14-21-7-3-9-26(19)24-18/h1-2,4,8,12,16,21H,3,5-7,9-11,13-15H2,(H,23,27).
What are the key properties of N-(pyridin-2-ylmethyl)-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidine-4-carboxamide?
N-(pyridin-2-ylmethyl)-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 368.49 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 56900556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).