N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide

C20H23N3O2 — CID 72914710

IUPACN-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCc1nc(CCNC(=O)C2COc3ccccc3C2)nc2c1CCC2
InChIInChI=1S/C20H23N3O2/c1-13-16-6-4-7-17(16)23-19(22-13)9-10-21-20(24)15-11-14-5-2-3-8-18(14)25-12-15/h2-3,5,8,15H,4,6-7,9-12H2,1H3,(H,21,24)
InChIKeyIFTXPKUQJAQAQN-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.18
Rot. Bonds4

About N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide

N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 72914710) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID72914710
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCc1nc(CCNC(=O)C2COc3ccccc3C2)nc2c1CCC2
InChIInChI=1S/C20H23N3O2/c1-13-16-6-4-7-17(16)23-19(22-13)9-10-21-20(24)15-11-14-5-2-3-8-18(14)25-12-15/h2-3,5,8,15H,4,6-7,9-12H2,1H3,(H,21,24)
InChIKeyIFTXPKUQJAQAQN-UHFFFAOYSA-N
XLogP2.18
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 72874069
(3R)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97282504
(3S)-8-methoxy-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97190367
2-(2,3-dihydro-1H-inden-2-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide
CID 91834323
(1R)-2-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3-phenylcycloprop-2-ene-1-carboxamide
CID 124755594
(3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97281473
7-methoxy-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72931988
(3R)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97273369
(3S)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97273370
N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72837426
8-methoxy-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 70782110
(3S)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97029666

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 72914710) is N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide is Cc1nc(CCNC(=O)C2COc3ccccc3C2)nc2c1CCC2.
What is the InChIKey of N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is IFTXPKUQJAQAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13-16-6-4-7-17(16)23-19(22-13)9-10-21-20(24)15-11-14-5-2-3-8-18(14)25-12-15/h2-3,5,8,15H,4,6-7,9-12H2,1H3,(H,21,24).
What are the key properties of N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 72914710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).