N-[4-amino-1,3-bis(cyclopropylmethyl)-2,6-dioxopyrimidin-5-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide

C22H30N4O3 — CID 19005886

IUPACN-[4-amino-1,3-bis(cyclopropylmethyl)-2,6-dioxopyrimidin-5-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESNc1c(NC(=O)C23CC4CC(CC2C4)C3)c(=O)n(CC2CC2)c(=O)n1CC1CC1
InChIInChI=1S/C22H30N4O3/c23-18-17(24-20(28)22-8-14-5-15(9-22)7-16(22)6-14)19(27)26(11-13-3-4-13)21(29)25(18)10-12-1-2-12/h12-16H,1-11,23H2,(H,24,28)
InChIKeyMXMRNVPFYZDCOC-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.18
Rot. Bonds6

About N-[4-amino-1,3-bis(cyclopropylmethyl)-2,6-dioxopyrimidin-5-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide

N-[4-amino-1,3-bis(cyclopropylmethyl)-2,6-dioxopyrimidin-5-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide (PubChem CID 19005886) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[4-amino-1,3-bis(cyclopropylmethyl)-2,6-dioxopyrimidin-5-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide.

Molecular Properties

Compound NameN-[4-amino-1,3-bis(cyclopropylmethyl)-2,6-dioxopyrimidin-5-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide
PubChem CID19005886
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC NameN-[4-amino-1,3-bis(cyclopropylmethyl)-2,6-dioxopyrimidin-5-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESNc1c(NC(=O)C23CC4CC(CC2C4)C3)c(=O)n(CC2CC2)c(=O)n1CC1CC1
InChIInChI=1S/C22H30N4O3/c23-18-17(24-20(28)22-8-14-5-15(9-22)7-16(22)6-14)19(27)26(11-13-3-4-13)21(29)25(18)10-12-1-2-12/h12-16H,1-11,23H2,(H,24,28)
InChIKeyMXMRNVPFYZDCOC-UHFFFAOYSA-N
XLogP2.18
TPSA99.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-amino-1,3-bis(cyclopropylmethyl)-2,6-dioxopyrimidin-5-yl]tricyclo[3.3.1.03,7]nonane-3-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 N-[4-amino-1,3-bis(cyclopropylmethyl)-2,6-dioxopyrimidin-5-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The IUPAC name of N-[4-amino-1,3-bis(cyclopropylmethyl)-2,6-dioxopyrimidin-5-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide (CID 19005886) is N-[4-amino-1,3-bis(cyclopropylmethyl)-2,6-dioxopyrimidin-5-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide.
What is the SMILES notation for N-[4-amino-1,3-bis(cyclopropylmethyl)-2,6-dioxopyrimidin-5-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The canonical SMILES for N-[4-amino-1,3-bis(cyclopropylmethyl)-2,6-dioxopyrimidin-5-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide is Nc1c(NC(=O)C23CC4CC(CC2C4)C3)c(=O)n(CC2CC2)c(=O)n1CC1CC1.
What is the InChIKey of N-[4-amino-1,3-bis(cyclopropylmethyl)-2,6-dioxopyrimidin-5-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The InChIKey is MXMRNVPFYZDCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c23-18-17(24-20(28)22-8-14-5-15(9-22)7-16(22)6-14)19(27)26(11-13-3-4-13)21(29)25(18)10-12-1-2-12/h12-16H,1-11,23H2,(H,24,28).
What are the key properties of N-[4-amino-1,3-bis(cyclopropylmethyl)-2,6-dioxopyrimidin-5-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide?
N-[4-amino-1,3-bis(cyclopropylmethyl)-2,6-dioxopyrimidin-5-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-1,3-bis(cyclopropylmethyl)-2,6-dioxopyrimidin-5-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide is sourced from PubChem (CID 19005886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).