2,2-dimethyl-N-[1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]propanamide

C22H29N5O — CID 166225591

IUPAC2,2-dimethyl-N-[1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]propanamide
SMILESCC(C)(C)C(=O)NC1CCCN(c2nc(-c3cccnc3)nc3c2CCC3)C1
InChIInChI=1S/C22H29N5O/c1-22(2,3)21(28)24-16-8-6-12-27(14-16)20-17-9-4-10-18(17)25-19(26-20)15-7-5-11-23-13-15/h5,7,11,13,16H,4,6,8-10,12,14H2,1-3H3,(H,24,28)
InChIKeyGKYWUZNWYHCWDP-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.16
Rot. Bonds3

About 2,2-dimethyl-N-[1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]propanamide

2,2-dimethyl-N-[1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]propanamide (PubChem CID 166225591) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]propanamide
PubChem CID166225591
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name2,2-dimethyl-N-[1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]propanamide
SMILESCC(C)(C)C(=O)NC1CCCN(c2nc(-c3cccnc3)nc3c2CCC3)C1
InChIInChI=1S/C22H29N5O/c1-22(2,3)21(28)24-16-8-6-12-27(14-16)20-17-9-4-10-18(17)25-19(26-20)15-7-5-11-23-13-15/h5,7,11,13,16H,4,6,8-10,12,14H2,1-3H3,(H,24,28)
InChIKeyGKYWUZNWYHCWDP-UHFFFAOYSA-N
XLogP3.16
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]propanamide (CID 166225591) is 2,2-dimethyl-N-[1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]propanamide is CC(C)(C)C(=O)NC1CCCN(c2nc(-c3cccnc3)nc3c2CCC3)C1.
What is the InChIKey of 2,2-dimethyl-N-[1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]propanamide?
The InChIKey is GKYWUZNWYHCWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-22(2,3)21(28)24-16-8-6-12-27(14-16)20-17-9-4-10-18(17)25-19(26-20)15-7-5-11-23-13-15/h5,7,11,13,16H,4,6,8-10,12,14H2,1-3H3,(H,24,28).
What are the key properties of 2,2-dimethyl-N-[1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]propanamide?
2,2-dimethyl-N-[1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]propanamide has a molecular weight of 379.51 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]propanamide is sourced from PubChem (CID 166225591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).