N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

C20H30N6O2 — CID 134704443

IUPACN-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCN1C[C@@H]2C[C@H](N(C)C(=O)CN3CCN(c4ncccn4)CC3)C[C@@H]2CC1=O
InChIInChI=1S/C20H30N6O2/c1-23-13-16-11-17(10-15(16)12-18(23)27)24(2)19(28)14-25-6-8-26(9-7-25)20-21-4-3-5-22-20/h3-5,15-17H,6-14H2,1-2H3/t15-,16+,17-/m1/s1
InChIKeyXMNCYKDKRIGKSV-IXDOHACOSA-N
MW386.50 g/mol
LogP0.31
Rot. Bonds4

About N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (PubChem CID 134704443) has the molecular formula C20H30N6O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
PubChem CID134704443
Molecular FormulaC20H30N6O2
Molecular Weight386.50 g/mol
Exact Mass386.24
IUPAC NameN-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCN1C[C@@H]2C[C@H](N(C)C(=O)CN3CCN(c4ncccn4)CC3)C[C@@H]2CC1=O
InChIInChI=1S/C20H30N6O2/c1-23-13-16-11-17(10-15(16)12-18(23)27)24(2)19(28)14-25-6-8-26(9-7-25)20-21-4-3-5-22-20/h3-5,15-17H,6-14H2,1-2H3/t15-,16+,17-/m1/s1
InChIKeyXMNCYKDKRIGKSV-IXDOHACOSA-N
XLogP0.31
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(3aS,6aR)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 134700639
N-cyclohexyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 78782354
N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-2-ethoxy-N-methylpyridine-3-carboxamide
CID 162628560
N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N,3-dimethylpyridine-2-carboxamide
CID 157011004
N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-methylacetamide
CID 162634452
N,N-diethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide;oxalic acid
CID 651792
N-(3-aminopropyl)-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 43253640
2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl chloride
CID 39255813
N-methyl-N-(4-methylcyclohexyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 78808128
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 90647609
N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-3-chloro-N-methylpyridine-4-carboxamide
CID 134696883
N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 8595309

Frequently Asked Questions

What is the IUPAC name of N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (CID 134704443) is N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is CN1C[C@@H]2C[C@H](N(C)C(=O)CN3CCN(c4ncccn4)CC3)C[C@@H]2CC1=O.
What is the InChIKey of N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is XMNCYKDKRIGKSV-IXDOHACOSA-N. The full InChI is InChI=1S/C20H30N6O2/c1-23-13-16-11-17(10-15(16)12-18(23)27)24(2)19(28)14-25-6-8-26(9-7-25)20-21-4-3-5-22-20/h3-5,15-17H,6-14H2,1-2H3/t15-,16+,17-/m1/s1.
What are the key properties of N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 386.50 g/mol, XLogP of 0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 134704443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).