2-[(3S)-3-aminopiperidin-1-yl]-4-(3,5-dicyclopropylanilino)pyrimidine-5-carboxamide

C22H28N6O — CID 150859577

IUPAC2-[(3S)-3-aminopiperidin-1-yl]-4-(3,5-dicyclopropylanilino)pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(N2CCC[C@H](N)C2)nc1Nc1cc(C2CC2)cc(C2CC2)c1
InChIInChI=1S/C22H28N6O/c23-17-2-1-7-28(12-17)22-25-11-19(20(24)29)21(27-22)26-18-9-15(13-3-4-13)8-16(10-18)14-5-6-14/h8-11,13-14,17H,1-7,12,23H2,(H2,24,29)(H,25,26,27)/t17-/m0/s1
InChIKeyKRSKTEGDEHTCOP-KRWDZBQOSA-N
MW392.51 g/mol
LogP3.00
Rot. Bonds6

About 2-[(3S)-3-aminopiperidin-1-yl]-4-(3,5-dicyclopropylanilino)pyrimidine-5-carboxamide

2-[(3S)-3-aminopiperidin-1-yl]-4-(3,5-dicyclopropylanilino)pyrimidine-5-carboxamide (PubChem CID 150859577) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 2-[(3S)-3-aminopiperidin-1-yl]-4-(3,5-dicyclopropylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(3S)-3-aminopiperidin-1-yl]-4-(3,5-dicyclopropylanilino)pyrimidine-5-carboxamide
PubChem CID150859577
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name2-[(3S)-3-aminopiperidin-1-yl]-4-(3,5-dicyclopropylanilino)pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(N2CCC[C@H](N)C2)nc1Nc1cc(C2CC2)cc(C2CC2)c1
InChIInChI=1S/C22H28N6O/c23-17-2-1-7-28(12-17)22-25-11-19(20(24)29)21(27-22)26-18-9-15(13-3-4-13)8-16(10-18)14-5-6-14/h8-11,13-14,17H,1-7,12,23H2,(H2,24,29)(H,25,26,27)/t17-/m0/s1
InChIKeyKRSKTEGDEHTCOP-KRWDZBQOSA-N
XLogP3.00
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(3S)-3-aminopiperidin-1-yl]-4-(3,5-dicyclopropylanilino)pyrimidine-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 2-[(3S)-3-aminopiperidin-1-yl]-4-(3,5-dicyclopropylanilino)pyrimidine-5-carboxamide?
The IUPAC name of 2-[(3S)-3-aminopiperidin-1-yl]-4-(3,5-dicyclopropylanilino)pyrimidine-5-carboxamide (CID 150859577) is 2-[(3S)-3-aminopiperidin-1-yl]-4-(3,5-dicyclopropylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(3S)-3-aminopiperidin-1-yl]-4-(3,5-dicyclopropylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(3S)-3-aminopiperidin-1-yl]-4-(3,5-dicyclopropylanilino)pyrimidine-5-carboxamide is NC(=O)c1cnc(N2CCC[C@H](N)C2)nc1Nc1cc(C2CC2)cc(C2CC2)c1.
What is the InChIKey of 2-[(3S)-3-aminopiperidin-1-yl]-4-(3,5-dicyclopropylanilino)pyrimidine-5-carboxamide?
The InChIKey is KRSKTEGDEHTCOP-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H28N6O/c23-17-2-1-7-28(12-17)22-25-11-19(20(24)29)21(27-22)26-18-9-15(13-3-4-13)8-16(10-18)14-5-6-14/h8-11,13-14,17H,1-7,12,23H2,(H2,24,29)(H,25,26,27)/t17-/m0/s1.
What are the key properties of 2-[(3S)-3-aminopiperidin-1-yl]-4-(3,5-dicyclopropylanilino)pyrimidine-5-carboxamide?
2-[(3S)-3-aminopiperidin-1-yl]-4-(3,5-dicyclopropylanilino)pyrimidine-5-carboxamide has a molecular weight of 392.51 g/mol, XLogP of 3.00, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-aminopiperidin-1-yl]-4-(3,5-dicyclopropylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 150859577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).