1-[4-[ethyl(methyl)amino]-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-methoxypropan-1-one

C23H31N5O2 — CID 155913178

IUPAC1-[4-[ethyl(methyl)amino]-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-methoxypropan-1-one
SMILESCCN(C)c1nc(-c2cccnc2)nc2c1CCC21CCCN(C(=O)CCOC)C1
InChIInChI=1S/C23H31N5O2/c1-4-27(2)22-18-8-11-23(10-6-13-28(16-23)19(29)9-14-30-3)20(18)25-21(26-22)17-7-5-12-24-15-17/h5,7,12,15H,4,6,8-11,13-14,16H2,1-3H3
InChIKeyYEAQQCGCOCYNCF-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.84
Rot. Bonds6

About 1-[4-[ethyl(methyl)amino]-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-methoxypropan-1-one

1-[4-[ethyl(methyl)amino]-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-methoxypropan-1-one (PubChem CID 155913178) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 1-[4-[ethyl(methyl)amino]-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[4-[ethyl(methyl)amino]-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-methoxypropan-1-one
PubChem CID155913178
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC Name1-[4-[ethyl(methyl)amino]-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-methoxypropan-1-one
SMILESCCN(C)c1nc(-c2cccnc2)nc2c1CCC21CCCN(C(=O)CCOC)C1
InChIInChI=1S/C23H31N5O2/c1-4-27(2)22-18-8-11-23(10-6-13-28(16-23)19(29)9-14-30-3)20(18)25-21(26-22)17-7-5-12-24-15-17/h5,7,12,15H,4,6,8-11,13-14,16H2,1-3H3
InChIKeyYEAQQCGCOCYNCF-UHFFFAOYSA-N
XLogP2.84
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1'-acetyl-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl)-methylamino]acetamide
CID 155912435
N-[2-oxo-2-(4-oxo-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]acetamide
CID 154566009
1-[4-[(3-methyloxetan-3-yl)methylamino]-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone
CID 155912828
1-[4-[(1-methylpyrazol-4-yl)methylamino]-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone
CID 156584249
N,N-dimethyl-4-oxo-4-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)butanamide
CID 163317731
2-(dimethylamino)-1'-(2-pyridin-3-ylacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154816421
1'-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154568745
1-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one
CID 135091787
1'-(2-ethyl-5-methylpyrazole-3-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154564869
1'-(1-aminocyclopentanecarbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154564282
1-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one
CID 135116264
4-[4-(dimethylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutanamide
CID 56917154

Frequently Asked Questions

What is the IUPAC name of 1-[4-[ethyl(methyl)amino]-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[4-[ethyl(methyl)amino]-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-methoxypropan-1-one (CID 155913178) is 1-[4-[ethyl(methyl)amino]-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[4-[ethyl(methyl)amino]-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[4-[ethyl(methyl)amino]-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-methoxypropan-1-one is CCN(C)c1nc(-c2cccnc2)nc2c1CCC21CCCN(C(=O)CCOC)C1.
What is the InChIKey of 1-[4-[ethyl(methyl)amino]-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-methoxypropan-1-one?
The InChIKey is YEAQQCGCOCYNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-4-27(2)22-18-8-11-23(10-6-13-28(16-23)19(29)9-14-30-3)20(18)25-21(26-22)17-7-5-12-24-15-17/h5,7,12,15H,4,6,8-11,13-14,16H2,1-3H3.
What are the key properties of 1-[4-[ethyl(methyl)amino]-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-methoxypropan-1-one?
1-[4-[ethyl(methyl)amino]-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-methoxypropan-1-one has a molecular weight of 409.53 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[ethyl(methyl)amino]-2-pyridin-3-ylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 155913178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).