N-[[4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-6-yl]methyl]propanamide

C24H29N7O — CID 167232970

IUPACN-[[4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-6-yl]methyl]propanamide
SMILESCCC(=O)NCc1cc2c(N3CCC4(CCNC4)CC3)nc(-c3ccncc3)nc2cn1
InChIInChI=1S/C24H29N7O/c1-2-21(32)28-14-18-13-19-20(15-27-18)29-22(17-3-8-25-9-4-17)30-23(19)31-11-6-24(7-12-31)5-10-26-16-24/h3-4,8-9,13,15,26H,2,5-7,10-12,14,16H2,1H3,(H,28,32)
InChIKeyGRUPNYVALBUAFA-UHFFFAOYSA-N
MW431.54 g/mol
LogP2.69
Rot. Bonds5

About N-[[4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-6-yl]methyl]propanamide

N-[[4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-6-yl]methyl]propanamide (PubChem CID 167232970) has the molecular formula C24H29N7O and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[[4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-6-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-6-yl]methyl]propanamide
PubChem CID167232970
Molecular FormulaC24H29N7O
Molecular Weight431.54 g/mol
Exact Mass431.24
IUPAC NameN-[[4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-6-yl]methyl]propanamide
SMILESCCC(=O)NCc1cc2c(N3CCC4(CCNC4)CC3)nc(-c3ccncc3)nc2cn1
InChIInChI=1S/C24H29N7O/c1-2-21(32)28-14-18-13-19-20(15-27-18)29-22(17-3-8-25-9-4-17)30-23(19)31-11-6-24(7-12-31)5-10-26-16-24/h3-4,8-9,13,15,26H,2,5-7,10-12,14,16H2,1H3,(H,28,32)
InChIKeyGRUPNYVALBUAFA-UHFFFAOYSA-N
XLogP2.69
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-6-yl]methyl]propanamide?
The IUPAC name of N-[[4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-6-yl]methyl]propanamide (CID 167232970) is N-[[4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-6-yl]methyl]propanamide.
What is the SMILES notation for N-[[4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-6-yl]methyl]propanamide?
The canonical SMILES for N-[[4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-6-yl]methyl]propanamide is CCC(=O)NCc1cc2c(N3CCC4(CCNC4)CC3)nc(-c3ccncc3)nc2cn1.
What is the InChIKey of N-[[4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-6-yl]methyl]propanamide?
The InChIKey is GRUPNYVALBUAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O/c1-2-21(32)28-14-18-13-19-20(15-27-18)29-22(17-3-8-25-9-4-17)30-23(19)31-11-6-24(7-12-31)5-10-26-16-24/h3-4,8-9,13,15,26H,2,5-7,10-12,14,16H2,1H3,(H,28,32).
What are the key properties of N-[[4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-6-yl]methyl]propanamide?
N-[[4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-6-yl]methyl]propanamide has a molecular weight of 431.54 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-6-yl]methyl]propanamide is sourced from PubChem (CID 167232970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).