N-(cyclopropylmethyl)-5-(pyridazine-4-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide

C16H20N4O2 — CID 134070357

IUPACN-(cyclopropylmethyl)-5-(pyridazine-4-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
SMILESO=C(NCC1CC1)C1CC12CCN(C(=O)c1ccnnc1)C2
InChIInChI=1S/C16H20N4O2/c21-14(17-8-11-1-2-11)13-7-16(13)4-6-20(10-16)15(22)12-3-5-18-19-9-12/h3,5,9,11,13H,1-2,4,6-8,10H2,(H,17,21)
InChIKeyUSMUQTJPBQDREE-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.86
Rot. Bonds4

About N-(cyclopropylmethyl)-5-(pyridazine-4-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide

N-(cyclopropylmethyl)-5-(pyridazine-4-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide (PubChem CID 134070357) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-(pyridazine-4-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-(pyridazine-4-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
PubChem CID134070357
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-(cyclopropylmethyl)-5-(pyridazine-4-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
SMILESO=C(NCC1CC1)C1CC12CCN(C(=O)c1ccnnc1)C2
InChIInChI=1S/C16H20N4O2/c21-14(17-8-11-1-2-11)13-7-16(13)4-6-20(10-16)15(22)12-3-5-18-19-9-12/h3,5,9,11,13H,1-2,4,6-8,10H2,(H,17,21)
InChIKeyUSMUQTJPBQDREE-UHFFFAOYSA-N
XLogP0.86
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R,9S)-N-(cyclopropylmethyl)-2-(6-ethylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 155875455
5-(4-chlorobenzoyl)-N-(pyridin-4-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131638456
(2S,3R)-5-(4-chlorobenzoyl)-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492682
N-(cyclopropylmethyl)-5-[(1-methylpyrazol-4-yl)methyl]-5-azaspiro[2.4]heptane-2-carboxamide
CID 134070356
N-(cyclopropylmethyl)-2-(furan-3-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 131649912
(2R,3S)-5-(2-cyclopropylacetyl)-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492595
N-(cyclopropylmethyl)spiro[2.3]hexane-2-carboxamide
CID 130606540
5-(4-fluorobenzoyl)-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155844314
5-(4-methylbenzoyl)-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155842401
5-(4-chlorobenzoyl)-N-(thiophen-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131662437
(2S,3R)-5-(4-chlorobenzoyl)-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492548
(2S,3S)-5-(2-methylbenzoyl)-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492673

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-(pyridazine-4-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-5-(pyridazine-4-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide (CID 134070357) is N-(cyclopropylmethyl)-5-(pyridazine-4-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-5-(pyridazine-4-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-5-(pyridazine-4-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide is O=C(NCC1CC1)C1CC12CCN(C(=O)c1ccnnc1)C2.
What is the InChIKey of N-(cyclopropylmethyl)-5-(pyridazine-4-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide?
The InChIKey is USMUQTJPBQDREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-14(17-8-11-1-2-11)13-7-16(13)4-6-20(10-16)15(22)12-3-5-18-19-9-12/h3,5,9,11,13H,1-2,4,6-8,10H2,(H,17,21).
What are the key properties of N-(cyclopropylmethyl)-5-(pyridazine-4-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide?
N-(cyclopropylmethyl)-5-(pyridazine-4-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-(pyridazine-4-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 134070357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).