N-cyclopropyl-10-[(2S)-2,3-dihydroxypropyl]-N,3-dimethyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide

C18H24N6O3 — CID 122191624

IUPACN-cyclopropyl-10-[(2S)-2,3-dihydroxypropyl]-N,3-dimethyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide
SMILESCNc1nc2c(cc(C(=O)N(C)C3CC3)n2C[C@H](O)CO)c2c1ncn2C
InChIInChI=1S/C18H24N6O3/c1-19-16-14-15(22(2)9-20-14)12-6-13(18(27)23(3)10-4-5-10)24(17(12)21-16)7-11(26)8-25/h6,9-11,25-26H,4-5,7-8H2,1-3H3,(H,19,21)/t11-/m0/s1
InChIKeyOGLUSXCKVSEGPR-NSHDSACASA-N
MW372.43 g/mol
LogP0.55
Rot. Bonds6

About N-cyclopropyl-10-[(2S)-2,3-dihydroxypropyl]-N,3-dimethyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide

N-cyclopropyl-10-[(2S)-2,3-dihydroxypropyl]-N,3-dimethyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide (PubChem CID 122191624) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-cyclopropyl-10-[(2S)-2,3-dihydroxypropyl]-N,3-dimethyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-10-[(2S)-2,3-dihydroxypropyl]-N,3-dimethyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide
PubChem CID122191624
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC NameN-cyclopropyl-10-[(2S)-2,3-dihydroxypropyl]-N,3-dimethyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide
SMILESCNc1nc2c(cc(C(=O)N(C)C3CC3)n2C[C@H](O)CO)c2c1ncn2C
InChIInChI=1S/C18H24N6O3/c1-19-16-14-15(22(2)9-20-14)12-6-13(18(27)23(3)10-4-5-10)24(17(12)21-16)7-11(26)8-25/h6,9-11,25-26H,4-5,7-8H2,1-3H3,(H,19,21)/t11-/m0/s1
InChIKeyOGLUSXCKVSEGPR-NSHDSACASA-N
XLogP0.55
TPSA108.44 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-10-[(2S)-2,3-dihydroxypropyl]-N,3-dimethyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide?
The IUPAC name of N-cyclopropyl-10-[(2S)-2,3-dihydroxypropyl]-N,3-dimethyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide (CID 122191624) is N-cyclopropyl-10-[(2S)-2,3-dihydroxypropyl]-N,3-dimethyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide.
What is the SMILES notation for N-cyclopropyl-10-[(2S)-2,3-dihydroxypropyl]-N,3-dimethyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide?
The canonical SMILES for N-cyclopropyl-10-[(2S)-2,3-dihydroxypropyl]-N,3-dimethyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide is CNc1nc2c(cc(C(=O)N(C)C3CC3)n2C[C@H](O)CO)c2c1ncn2C.
What is the InChIKey of N-cyclopropyl-10-[(2S)-2,3-dihydroxypropyl]-N,3-dimethyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide?
The InChIKey is OGLUSXCKVSEGPR-NSHDSACASA-N. The full InChI is InChI=1S/C18H24N6O3/c1-19-16-14-15(22(2)9-20-14)12-6-13(18(27)23(3)10-4-5-10)24(17(12)21-16)7-11(26)8-25/h6,9-11,25-26H,4-5,7-8H2,1-3H3,(H,19,21)/t11-/m0/s1.
What are the key properties of N-cyclopropyl-10-[(2S)-2,3-dihydroxypropyl]-N,3-dimethyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide?
N-cyclopropyl-10-[(2S)-2,3-dihydroxypropyl]-N,3-dimethyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-10-[(2S)-2,3-dihydroxypropyl]-N,3-dimethyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide is sourced from PubChem (CID 122191624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).