N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide

C20H27N5O — CID 56739589

IUPACN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
SMILESO=C(NCc1n[nH]c2c1CCCCC2)C(c1cccnc1)N1CCCC1
InChIInChI=1S/C20H27N5O/c26-20(19(25-11-4-5-12-25)15-7-6-10-21-13-15)22-14-18-16-8-2-1-3-9-17(16)23-24-18/h6-7,10,13,19H,1-5,8-9,11-12,14H2,(H,22,26)(H,23,24)
InChIKeyZHTBVUQQFRTMMR-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.53
Rot. Bonds5

About N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide

N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide (PubChem CID 56739589) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
PubChem CID56739589
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
SMILESO=C(NCc1n[nH]c2c1CCCCC2)C(c1cccnc1)N1CCCC1
InChIInChI=1S/C20H27N5O/c26-20(19(25-11-4-5-12-25)15-7-6-10-21-13-15)22-14-18-16-8-2-1-3-9-17(16)23-24-18/h6-7,10,13,19H,1-5,8-9,11-12,14H2,(H,22,26)(H,23,24)
InChIKeyZHTBVUQQFRTMMR-UHFFFAOYSA-N
XLogP2.53
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(cyclohexen-1-ylmethyl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 97198876
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CID 72885948
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 131925719
(2S)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 97200310
N-(cyclohexen-1-ylmethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 56755952
1-piperidin-1-yl-1-pyridin-3-ylpropan-2-one
CID 116860071
N-benzyl-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide
CID 164930531
N-[2-(7-methyl-1H-indol-3-yl)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 74250862
N-[2-(2-chloro-6-methylphenoxy)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 74240297
(2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 136861472
(2S)-N-[(2,4-difluorophenyl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97131048
1-acetyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azetidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide (CID 56739589) is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide is O=C(NCc1n[nH]c2c1CCCCC2)C(c1cccnc1)N1CCCC1.
What is the InChIKey of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide?
The InChIKey is ZHTBVUQQFRTMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c26-20(19(25-11-4-5-12-25)15-7-6-10-21-13-15)22-14-18-16-8-2-1-3-9-17(16)23-24-18/h6-7,10,13,19H,1-5,8-9,11-12,14H2,(H,22,26)(H,23,24).
What are the key properties of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide?
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide has a molecular weight of 353.47 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 56739589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).