4-[(6-cyclopropylpiperidin-3-yl)amino]-N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]-1,3-diazinane-5-carboxamide

C20H37N7O2 — CID 170754085

IUPAC4-[(6-cyclopropylpiperidin-3-yl)amino]-N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]-1,3-diazinane-5-carboxamide
SMILESCNC(=O)C1CCN(C2NCC(C(=O)NC)C(NC3CCC(C4CC4)NC3)N2)C1
InChIInChI=1S/C20H37N7O2/c1-21-18(28)13-7-8-27(11-13)20-24-10-15(19(29)22-2)17(26-20)25-14-5-6-16(23-9-14)12-3-4-12/h12-17,20,23-26H,3-11H2,1-2H3,(H,21,28)(H,22,29)
InChIKeyQSKVSTMQWPYWPF-UHFFFAOYSA-N
MW407.56 g/mol
LogP-1.66
Rot. Bonds6

About 4-[(6-cyclopropylpiperidin-3-yl)amino]-N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]-1,3-diazinane-5-carboxamide

4-[(6-cyclopropylpiperidin-3-yl)amino]-N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]-1,3-diazinane-5-carboxamide (PubChem CID 170754085) has the molecular formula C20H37N7O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 4-[(6-cyclopropylpiperidin-3-yl)amino]-N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]-1,3-diazinane-5-carboxamide.

Molecular Properties

Compound Name4-[(6-cyclopropylpiperidin-3-yl)amino]-N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]-1,3-diazinane-5-carboxamide
PubChem CID170754085
Molecular FormulaC20H37N7O2
Molecular Weight407.56 g/mol
Exact Mass407.30
IUPAC Name4-[(6-cyclopropylpiperidin-3-yl)amino]-N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]-1,3-diazinane-5-carboxamide
SMILESCNC(=O)C1CCN(C2NCC(C(=O)NC)C(NC3CCC(C4CC4)NC3)N2)C1
InChIInChI=1S/C20H37N7O2/c1-21-18(28)13-7-8-27(11-13)20-24-10-15(19(29)22-2)17(26-20)25-14-5-6-16(23-9-14)12-3-4-12/h12-17,20,23-26H,3-11H2,1-2H3,(H,21,28)(H,22,29)
InChIKeyQSKVSTMQWPYWPF-UHFFFAOYSA-N
XLogP-1.66
TPSA109.56 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.56
LogP ≤ 5-1.66
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze 4-[(6-cyclopropylpiperidin-3-yl)amino]-N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]-1,3-diazinane-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(6-cyclopropylpiperidin-3-yl)amino]-N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]-1,3-diazinane-5-carboxamide?
The IUPAC name of 4-[(6-cyclopropylpiperidin-3-yl)amino]-N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]-1,3-diazinane-5-carboxamide (CID 170754085) is 4-[(6-cyclopropylpiperidin-3-yl)amino]-N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]-1,3-diazinane-5-carboxamide.
What is the SMILES notation for 4-[(6-cyclopropylpiperidin-3-yl)amino]-N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]-1,3-diazinane-5-carboxamide?
The canonical SMILES for 4-[(6-cyclopropylpiperidin-3-yl)amino]-N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]-1,3-diazinane-5-carboxamide is CNC(=O)C1CCN(C2NCC(C(=O)NC)C(NC3CCC(C4CC4)NC3)N2)C1.
What is the InChIKey of 4-[(6-cyclopropylpiperidin-3-yl)amino]-N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]-1,3-diazinane-5-carboxamide?
The InChIKey is QSKVSTMQWPYWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N7O2/c1-21-18(28)13-7-8-27(11-13)20-24-10-15(19(29)22-2)17(26-20)25-14-5-6-16(23-9-14)12-3-4-12/h12-17,20,23-26H,3-11H2,1-2H3,(H,21,28)(H,22,29).
What are the key properties of 4-[(6-cyclopropylpiperidin-3-yl)amino]-N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]-1,3-diazinane-5-carboxamide?
4-[(6-cyclopropylpiperidin-3-yl)amino]-N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]-1,3-diazinane-5-carboxamide has a molecular weight of 407.56 g/mol, XLogP of -1.66, 6 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-cyclopropylpiperidin-3-yl)amino]-N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]-1,3-diazinane-5-carboxamide is sourced from PubChem (CID 170754085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).