2-[4-(methylamino)-2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-piperidin-1-ylethanone

C19H30N6O — CID 92625684

IUPAC2-[4-(methylamino)-2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-piperidin-1-ylethanone
SMILESCNc1nc([C@@H]2CCCN2)nc2c1CN(CC(=O)N1CCCCC1)CC2
InChIInChI=1S/C19H30N6O/c1-20-18-14-12-24(13-17(26)25-9-3-2-4-10-25)11-7-15(14)22-19(23-18)16-6-5-8-21-16/h16,21H,2-13H2,1H3,(H,20,22,23)/t16-/m0/s1
InChIKeyPBVUIQZGTYNXEM-INIZCTEOSA-N
MW358.49 g/mol
LogP1.31
Rot. Bonds4

About 2-[4-(methylamino)-2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-piperidin-1-ylethanone

2-[4-(methylamino)-2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-piperidin-1-ylethanone (PubChem CID 92625684) has the molecular formula C19H30N6O and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-[4-(methylamino)-2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(methylamino)-2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-piperidin-1-ylethanone
PubChem CID92625684
Molecular FormulaC19H30N6O
Molecular Weight358.49 g/mol
Exact Mass358.25
IUPAC Name2-[4-(methylamino)-2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-piperidin-1-ylethanone
SMILESCNc1nc([C@@H]2CCCN2)nc2c1CN(CC(=O)N1CCCCC1)CC2
InChIInChI=1S/C19H30N6O/c1-20-18-14-12-24(13-17(26)25-9-3-2-4-10-25)11-7-15(14)22-19(23-18)16-6-5-8-21-16/h16,21H,2-13H2,1H3,(H,20,22,23)/t16-/m0/s1
InChIKeyPBVUIQZGTYNXEM-INIZCTEOSA-N
XLogP1.31
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylamino)-2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-(methylamino)-2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-piperidin-1-ylethanone (CID 92625684) is 2-[4-(methylamino)-2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-(methylamino)-2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-(methylamino)-2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-piperidin-1-ylethanone is CNc1nc([C@@H]2CCCN2)nc2c1CN(CC(=O)N1CCCCC1)CC2.
What is the InChIKey of 2-[4-(methylamino)-2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-piperidin-1-ylethanone?
The InChIKey is PBVUIQZGTYNXEM-INIZCTEOSA-N. The full InChI is InChI=1S/C19H30N6O/c1-20-18-14-12-24(13-17(26)25-9-3-2-4-10-25)11-7-15(14)22-19(23-18)16-6-5-8-21-16/h16,21H,2-13H2,1H3,(H,20,22,23)/t16-/m0/s1.
What are the key properties of 2-[4-(methylamino)-2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-piperidin-1-ylethanone?
2-[4-(methylamino)-2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-piperidin-1-ylethanone has a molecular weight of 358.49 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylamino)-2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 92625684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).