5-cyclopropyl-N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-methylfuran-3-carboxamide

C21H26N4O3 — CID 92606277

IUPAC5-cyclopropyl-N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-methylfuran-3-carboxamide
SMILESCc1oc(C2CC2)cc1C(=O)N[C@H]1CCCN(c2ncc3c(n2)CCOC3)C1
InChIInChI=1S/C21H26N4O3/c1-13-17(9-19(28-13)14-4-5-14)20(26)23-16-3-2-7-25(11-16)21-22-10-15-12-27-8-6-18(15)24-21/h9-10,14,16H,2-8,11-12H2,1H3,(H,23,26)/t16-/m0/s1
InChIKeySRZJHYVNHBNMGB-INIZCTEOSA-N
MW382.46 g/mol
LogP2.73
Rot. Bonds4

About 5-cyclopropyl-N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-methylfuran-3-carboxamide

5-cyclopropyl-N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-methylfuran-3-carboxamide (PubChem CID 92606277) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-methylfuran-3-carboxamide
PubChem CID92606277
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name5-cyclopropyl-N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-methylfuran-3-carboxamide
SMILESCc1oc(C2CC2)cc1C(=O)N[C@H]1CCCN(c2ncc3c(n2)CCOC3)C1
InChIInChI=1S/C21H26N4O3/c1-13-17(9-19(28-13)14-4-5-14)20(26)23-16-3-2-7-25(11-16)21-22-10-15-12-27-8-6-18(15)24-21/h9-10,14,16H,2-8,11-12H2,1H3,(H,23,26)/t16-/m0/s1
InChIKeySRZJHYVNHBNMGB-INIZCTEOSA-N
XLogP2.73
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-methylfuran-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-methylfuran-3-carboxamide (CID 92606277) is 5-cyclopropyl-N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-methylfuran-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-methylfuran-3-carboxamide is Cc1oc(C2CC2)cc1C(=O)N[C@H]1CCCN(c2ncc3c(n2)CCOC3)C1.
What is the InChIKey of 5-cyclopropyl-N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-methylfuran-3-carboxamide?
The InChIKey is SRZJHYVNHBNMGB-INIZCTEOSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-13-17(9-19(28-13)14-4-5-14)20(26)23-16-3-2-7-25(11-16)21-22-10-15-12-27-8-6-18(15)24-21/h9-10,14,16H,2-8,11-12H2,1H3,(H,23,26)/t16-/m0/s1.
What are the key properties of 5-cyclopropyl-N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-methylfuran-3-carboxamide?
5-cyclopropyl-N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-methylfuran-3-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 92606277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).