2-amino-N-[4-(2-aminoethoxy)piperidin-3-yl]-6-(cyanomethyl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H30N8O2 — CID 140643739

IUPAC2-amino-N-[4-(2-aminoethoxy)piperidin-3-yl]-6-(cyanomethyl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESN#CCC1CNC2C(C(=O)NC3CNCCC3OCCN)C(N)NN2C1
InChIInChI=1S/C16H30N8O2/c17-3-1-10-7-21-15-13(14(19)23-24(15)9-10)16(25)22-11-8-20-5-2-12(11)26-6-4-18/h10-15,20-21,23H,1-2,4-9,18-19H2,(H,22,25)
InChIKeySDPYPCBHVDNBCM-UHFFFAOYSA-N
MW366.47 g/mol
LogP-3.01
Rot. Bonds6

About 2-amino-N-[4-(2-aminoethoxy)piperidin-3-yl]-6-(cyanomethyl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[4-(2-aminoethoxy)piperidin-3-yl]-6-(cyanomethyl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 140643739) has the molecular formula C16H30N8O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-amino-N-[4-(2-aminoethoxy)piperidin-3-yl]-6-(cyanomethyl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-(2-aminoethoxy)piperidin-3-yl]-6-(cyanomethyl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID140643739
Molecular FormulaC16H30N8O2
Molecular Weight366.47 g/mol
Exact Mass366.25
IUPAC Name2-amino-N-[4-(2-aminoethoxy)piperidin-3-yl]-6-(cyanomethyl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESN#CCC1CNC2C(C(=O)NC3CNCCC3OCCN)C(N)NN2C1
InChIInChI=1S/C16H30N8O2/c17-3-1-10-7-21-15-13(14(19)23-24(15)9-10)16(25)22-11-8-20-5-2-12(11)26-6-4-18/h10-15,20-21,23H,1-2,4-9,18-19H2,(H,22,25)
InChIKeySDPYPCBHVDNBCM-UHFFFAOYSA-N
XLogP-3.01
TPSA153.49 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.47
LogP ≤ 5-3.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze 2-amino-N-[4-(2-aminoethoxy)piperidin-3-yl]-6-(cyanomethyl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(2-aminoethoxy)piperidin-3-yl]-6-(cyanomethyl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[4-(2-aminoethoxy)piperidin-3-yl]-6-(cyanomethyl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 140643739) is 2-amino-N-[4-(2-aminoethoxy)piperidin-3-yl]-6-(cyanomethyl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[4-(2-aminoethoxy)piperidin-3-yl]-6-(cyanomethyl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[4-(2-aminoethoxy)piperidin-3-yl]-6-(cyanomethyl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is N#CCC1CNC2C(C(=O)NC3CNCCC3OCCN)C(N)NN2C1.
What is the InChIKey of 2-amino-N-[4-(2-aminoethoxy)piperidin-3-yl]-6-(cyanomethyl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SDPYPCBHVDNBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N8O2/c17-3-1-10-7-21-15-13(14(19)23-24(15)9-10)16(25)22-11-8-20-5-2-12(11)26-6-4-18/h10-15,20-21,23H,1-2,4-9,18-19H2,(H,22,25).
What are the key properties of 2-amino-N-[4-(2-aminoethoxy)piperidin-3-yl]-6-(cyanomethyl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[4-(2-aminoethoxy)piperidin-3-yl]-6-(cyanomethyl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 366.47 g/mol, XLogP of -3.01, 6 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(2-aminoethoxy)piperidin-3-yl]-6-(cyanomethyl)-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 140643739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).